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 Single : A 2 MET CE :methyl 168:sc= -0.0467 (180deg=-0.427) USER MOD Single : A 12 GLN : amide:sc= -0.54 K(o=-0.54,f=-3.7!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 17 GLN : amide:sc= 0.762 K(o=0.76,f=-0.51) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0.755 (180deg=0.477) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 29 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.8!) USER MOD Single : A 33 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= 0.522 K(o=0.52,f=-0.16) 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= 1.14 K(o=1.1,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.761 -1.088 6.081 1.00 0.00 N ATOM 38 CA MET A 2 -5.859 -0.665 5.013 1.00 0.00 C ATOM 39 C MET A 2 -4.392 -0.866 5.332 1.00 0.00 C ATOM 40 O MET A 2 -3.685 -1.510 4.561 1.00 0.00 O ATOM 41 CB MET A 2 -6.121 0.782 4.589 1.00 0.00 C ATOM 42 CG MET A 2 -7.022 0.739 3.362 1.00 0.00 C ATOM 43 SD MET A 2 -7.487 2.315 2.615 1.00 0.00 S ATOM 44 CE MET A 2 -5.951 2.645 1.710 1.00 0.00 C ATOM 0 HA MET A 2 -6.086 -1.324 4.175 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.597 1.339 5.396 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.185 1.291 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.524 0.139 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.937 0.213 3.635 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.109 3.468 1.013 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.164 2.913 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.655 1.753 1.158 1.00 0.00 H new ATOM 54 N GLY A 3 -3.924 -0.303 6.435 1.00 0.00 N ATOM 55 CA GLY A 3 -2.524 -0.392 6.810 1.00 0.00 C ATOM 56 C GLY A 3 -2.120 -1.849 7.005 1.00 0.00 C ATOM 57 O GLY A 3 -1.069 -2.274 6.530 1.00 0.00 O ATOM 0 H GLY A 3 -4.500 0.225 7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.904 0.064 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.351 0.167 7.730 1.00 0.00 H new ATOM 61 N GLU A 4 -2.995 -2.634 7.631 1.00 0.00 N ATOM 62 CA GLU A 4 -2.831 -4.069 7.811 1.00 0.00 C ATOM 63 C GLU A 4 -2.811 -4.808 6.475 1.00 0.00 C ATOM 64 O GLU A 4 -1.964 -5.672 6.269 1.00 0.00 O ATOM 65 CB GLU A 4 -3.984 -4.584 8.686 1.00 0.00 C ATOM 66 CG GLU A 4 -3.767 -4.322 10.177 1.00 0.00 C ATOM 67 CD GLU A 4 -2.693 -5.255 10.730 1.00 0.00 C ATOM 68 OE1 GLU A 4 -1.495 -4.895 10.700 1.00 0.00 O ATOM 69 OE2 GLU A 4 -3.047 -6.370 11.176 1.00 0.00 O ATOM 0 H GLU A 4 -3.860 -2.276 8.037 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.873 -4.257 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.912 -4.108 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.104 -5.655 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.471 -3.284 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.701 -4.471 10.719 1.00 0.00 H new ATOM 76 N ARG A 5 -3.722 -4.496 5.551 1.00 0.00 N ATOM 77 CA ARG A 5 -3.753 -5.065 4.208 1.00 0.00 C ATOM 78 C ARG A 5 -2.411 -4.816 3.550 1.00 0.00 C ATOM 79 O ARG A 5 -1.818 -5.737 3.007 1.00 0.00 O ATOM 80 CB ARG A 5 -4.836 -4.380 3.359 1.00 0.00 C ATOM 81 CG ARG A 5 -6.057 -5.278 3.239 1.00 0.00 C ATOM 82 CD ARG A 5 -7.090 -4.690 2.281 1.00 0.00 C ATOM 83 NE ARG A 5 -7.724 -3.456 2.766 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.573 -3.305 3.783 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.824 -4.277 4.651 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.205 -2.151 3.918 1.00 0.00 N ATOM 0 H ARG A 5 -4.473 -3.827 5.722 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.969 -6.131 4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.118 -3.430 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.443 -4.155 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.752 -6.264 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.507 -5.415 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.608 -4.487 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.864 -5.435 2.096 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.483 -2.604 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.360 -5.180 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.481 -4.121 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.039 -1.397 3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.859 -2.015 4.689 1.00 0.00 H new ATOM 100 N ILE A 6 -1.952 -3.570 3.563 1.00 0.00 N ATOM 101 CA ILE A 6 -0.741 -3.146 2.884 1.00 0.00 C ATOM 102 C ILE A 6 0.439 -3.886 3.507 1.00 0.00 C ATOM 103 O ILE A 6 1.191 -4.514 2.758 1.00 0.00 O ATOM 104 CB ILE A 6 -0.651 -1.606 2.926 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.807 -1.025 2.070 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.691 -1.075 2.390 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.159 0.422 2.411 1.00 0.00 C ATOM 0 H ILE A 6 -2.424 -2.813 4.057 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.738 -3.405 1.825 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.728 -1.293 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.532 -1.084 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.693 -1.646 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.699 0.014 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.507 -1.474 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.819 -1.389 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.975 0.758 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.466 0.485 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.287 1.056 2.250 1.00 0.00 H new ATOM 119 N ARG A 7 0.576 -3.889 4.842 1.00 0.00 N ATOM 120 CA ARG A 7 1.657 -4.619 5.504 1.00 0.00 C ATOM 121 C ARG A 7 1.618 -6.097 5.137 1.00 0.00 C ATOM 122 O ARG A 7 2.638 -6.649 4.728 1.00 0.00 O ATOM 123 CB ARG A 7 1.542 -4.413 7.031 1.00 0.00 C ATOM 124 CG ARG A 7 2.779 -4.845 7.840 1.00 0.00 C ATOM 125 CD ARG A 7 2.809 -6.360 8.090 1.00 0.00 C ATOM 126 NE ARG A 7 3.665 -6.805 9.207 1.00 0.00 N ATOM 127 CZ ARG A 7 5.001 -6.917 9.233 1.00 0.00 C ATOM 128 NH1 ARG A 7 5.787 -6.093 8.551 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.556 -7.886 9.950 1.00 0.00 N ATOM 0 H ARG A 7 -0.049 -3.394 5.479 1.00 0.00 H new ATOM 0 HA ARG A 7 2.618 -4.232 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.348 -3.358 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.677 -4.969 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.682 -4.549 7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.787 -4.321 8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.790 -6.699 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.146 -6.854 7.179 1.00 0.00 H new ATOM 0 HE ARG A 7 3.179 -7.059 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.378 -5.348 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.800 -6.204 8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.968 -8.535 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.571 -7.982 9.978 1.00 0.00 H new ATOM 143 N ALA A 8 0.441 -6.713 5.195 1.00 0.00 N ATOM 144 CA ALA A 8 0.273 -8.138 4.970 1.00 0.00 C ATOM 145 C ALA A 8 0.609 -8.483 3.529 1.00 0.00 C ATOM 146 O ALA A 8 1.431 -9.360 3.293 1.00 0.00 O ATOM 147 CB ALA A 8 -1.154 -8.557 5.302 1.00 0.00 C ATOM 0 H ALA A 8 -0.431 -6.227 5.402 1.00 0.00 H new ATOM 0 HA ALA A 8 0.954 -8.682 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.268 -9.627 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.365 -8.333 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.851 -8.011 4.666 1.00 0.00 H new ATOM 153 N ARG A 9 0.014 -7.789 2.556 1.00 0.00 N ATOM 154 CA ARG A 9 0.250 -8.024 1.135 1.00 0.00 C ATOM 155 C ARG A 9 1.735 -7.835 0.847 1.00 0.00 C ATOM 156 O ARG A 9 2.299 -8.624 0.099 1.00 0.00 O ATOM 157 CB ARG A 9 -0.621 -7.077 0.285 1.00 0.00 C ATOM 158 CG ARG A 9 -1.153 -7.588 -1.067 1.00 0.00 C ATOM 159 CD ARG A 9 -0.288 -8.569 -1.850 1.00 0.00 C ATOM 160 NE ARG A 9 -0.831 -8.661 -3.209 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.331 -9.737 -3.835 1.00 0.00 C ATOM 162 NH1 ARG A 9 -1.377 -10.931 -3.267 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.808 -9.645 -5.064 1.00 0.00 N ATOM 0 H ARG A 9 -0.653 -7.039 2.738 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.031 -9.043 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.479 -6.783 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.041 -6.174 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.118 -8.062 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.336 -6.722 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.747 -8.229 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.291 -9.548 -1.370 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.828 -7.795 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.024 -11.058 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.765 -11.724 -3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.799 -8.748 -5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.185 -10.471 -5.528 1.00 0.00 H new ATOM 177 N ARG A 10 2.395 -6.826 1.427 1.00 0.00 N ATOM 178 CA ARG A 10 3.828 -6.635 1.225 1.00 0.00 C ATOM 179 C ARG A 10 4.631 -7.821 1.745 1.00 0.00 C ATOM 180 O ARG A 10 5.511 -8.299 1.036 1.00 0.00 O ATOM 181 CB ARG A 10 4.318 -5.364 1.918 1.00 0.00 C ATOM 182 CG ARG A 10 5.485 -4.761 1.125 1.00 0.00 C ATOM 183 CD ARG A 10 5.783 -3.328 1.570 1.00 0.00 C ATOM 184 NE ARG A 10 5.543 -3.118 2.992 1.00 0.00 N ATOM 185 CZ ARG A 10 6.126 -3.742 4.019 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.171 -4.550 3.897 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.613 -3.562 5.210 1.00 0.00 N ATOM 0 H ARG A 10 1.958 -6.134 2.036 1.00 0.00 H new ATOM 0 HA ARG A 10 3.983 -6.546 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.505 -4.642 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.636 -5.592 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.374 -5.377 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.247 -4.771 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.822 -3.090 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.165 -2.638 0.996 1.00 0.00 H new ATOM 0 HE ARG A 10 4.848 -2.411 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.576 -4.725 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.570 -4.996 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.796 -2.962 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.030 -4.021 6.020 1.00 0.00 H new ATOM 201 N ILE A 11 4.347 -8.284 2.961 1.00 0.00 N ATOM 202 CA ILE A 11 4.971 -9.454 3.574 1.00 0.00 C ATOM 203 C ILE A 11 4.678 -10.702 2.733 1.00 0.00 C ATOM 204 O ILE A 11 5.538 -11.573 2.590 1.00 0.00 O ATOM 205 CB ILE A 11 4.484 -9.542 5.041 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.122 -8.437 5.915 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.676 -10.916 5.697 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.638 -8.533 6.115 1.00 0.00 C ATOM 0 H ILE A 11 3.655 -7.841 3.565 1.00 0.00 H new ATOM 0 HA ILE A 11 6.058 -9.373 3.598 1.00 0.00 H new ATOM 0 HB ILE A 11 3.407 -9.385 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.895 -7.470 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.644 -8.454 6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.307 -10.884 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.122 -11.668 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.735 -11.173 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.975 -7.708 6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.882 -9.480 6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.137 -8.480 5.147 1.00 0.00 H new ATOM 220 N GLN A 12 3.503 -10.776 2.113 1.00 0.00 N ATOM 221 CA GLN A 12 3.124 -11.810 1.162 1.00 0.00 C ATOM 222 C GLN A 12 4.000 -11.770 -0.099 1.00 0.00 C ATOM 223 O GLN A 12 4.216 -12.810 -0.715 1.00 0.00 O ATOM 224 CB GLN A 12 1.646 -11.626 0.794 1.00 0.00 C ATOM 225 CG GLN A 12 0.932 -12.915 0.400 1.00 0.00 C ATOM 226 CD GLN A 12 -0.228 -12.589 -0.526 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.196 -12.944 -1.701 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.206 -11.807 -0.089 1.00 0.00 N ATOM 0 H GLN A 12 2.763 -10.091 2.267 1.00 0.00 H new ATOM 0 HA GLN A 12 3.275 -12.785 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.125 -11.181 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.575 -10.918 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.628 -13.592 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.568 -13.428 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.228 -11.515 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.937 -11.497 -0.730 1.00 0.00 H new ATOM 237 N LEU A 13 4.537 -10.602 -0.473 1.00 0.00 N ATOM 238 CA LEU A 13 5.559 -10.463 -1.520 1.00 0.00 C ATOM 239 C LEU A 13 6.971 -10.685 -0.947 1.00 0.00 C ATOM 240 O LEU A 13 7.935 -10.818 -1.704 1.00 0.00 O ATOM 241 CB LEU A 13 5.556 -9.059 -2.167 1.00 0.00 C ATOM 242 CG LEU A 13 4.223 -8.387 -2.553 1.00 0.00 C ATOM 243 CD1 LEU A 13 4.506 -7.205 -3.490 1.00 0.00 C ATOM 244 CD2 LEU A 13 3.160 -9.307 -3.169 1.00 0.00 C ATOM 0 H LEU A 13 4.270 -9.713 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 13 5.312 -11.216 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.071 -8.386 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.162 -9.118 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 13 3.782 -8.059 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.566 -6.726 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.146 -6.483 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.007 -7.565 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.267 -8.727 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.550 -9.752 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.907 -10.096 -2.461 1.00 0.00 H new ATOM 256 N GLY A 14 7.106 -10.652 0.382 1.00 0.00 N ATOM 257 CA GLY A 14 8.353 -10.593 1.133 1.00 0.00 C ATOM 258 C GLY A 14 9.143 -9.312 0.880 1.00 0.00 C ATOM 259 O GLY A 14 10.363 -9.324 1.037 1.00 0.00 O ATOM 0 H GLY A 14 6.292 -10.667 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.133 -10.673 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.970 -11.452 0.869 1.00 0.00 H new ATOM 263 N LEU A 15 8.497 -8.219 0.456 1.00 0.00 N ATOM 264 CA LEU A 15 9.238 -7.037 0.018 1.00 0.00 C ATOM 265 C LEU A 15 9.355 -6.110 1.241 1.00 0.00 C ATOM 266 O LEU A 15 8.532 -6.184 2.153 1.00 0.00 O ATOM 267 CB LEU A 15 8.410 -6.325 -1.073 1.00 0.00 C ATOM 268 CG LEU A 15 8.870 -6.532 -2.532 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.343 -5.403 -3.425 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.373 -6.732 -2.737 1.00 0.00 C ATOM 0 H LEU A 15 7.482 -8.131 0.408 1.00 0.00 H new ATOM 0 HA LEU A 15 10.221 -7.296 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.376 -6.661 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.416 -5.256 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 15 8.431 -7.485 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.676 -5.564 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.253 -5.394 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.724 -4.447 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.581 -6.868 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.910 -5.857 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.701 -7.614 -2.188 1.00 0.00 H new ATOM 282 N ASN A 16 10.258 -5.125 1.216 1.00 0.00 N ATOM 283 CA ASN A 16 10.285 -4.050 2.226 1.00 0.00 C ATOM 284 C ASN A 16 9.367 -2.917 1.791 1.00 0.00 C ATOM 285 O ASN A 16 9.027 -2.828 0.608 1.00 0.00 O ATOM 286 CB ASN A 16 11.685 -3.451 2.429 1.00 0.00 C ATOM 287 CG ASN A 16 12.648 -4.420 3.086 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.355 -4.913 4.170 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.801 -4.699 2.509 1.00 0.00 N ATOM 0 H ASN A 16 10.986 -5.046 0.505 1.00 0.00 H new ATOM 0 HA ASN A 16 9.961 -4.503 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.087 -3.144 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.606 -2.553 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.460 -5.331 2.965 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.034 -4.283 1.607 1.00 0.00 H new ATOM 296 N GLN A 17 9.043 -1.997 2.707 1.00 0.00 N ATOM 297 CA GLN A 17 8.363 -0.739 2.387 1.00 0.00 C ATOM 298 C GLN A 17 9.116 -0.012 1.276 1.00 0.00 C ATOM 299 O GLN A 17 8.492 0.398 0.303 1.00 0.00 O ATOM 300 CB GLN A 17 8.238 0.150 3.638 1.00 0.00 C ATOM 301 CG GLN A 17 7.227 -0.422 4.638 1.00 0.00 C ATOM 302 CD GLN A 17 7.193 0.325 5.967 1.00 0.00 C ATOM 303 OE1 GLN A 17 7.945 1.262 6.227 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.335 -0.114 6.862 1.00 0.00 N ATOM 0 H GLN A 17 9.248 -2.107 3.700 1.00 0.00 H new ATOM 0 HA GLN A 17 7.355 -0.964 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.212 0.243 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.931 1.153 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.233 -0.397 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.466 -1.469 4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.716 -0.892 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.289 0.324 7.782 1.00 0.00 H new ATOM 313 N ALA A 18 10.443 0.090 1.392 1.00 0.00 N ATOM 314 CA ALA A 18 11.301 0.757 0.424 1.00 0.00 C ATOM 315 C ALA A 18 11.219 0.105 -0.952 1.00 0.00 C ATOM 316 O ALA A 18 11.165 0.798 -1.966 1.00 0.00 O ATOM 317 CB ALA A 18 12.744 0.718 0.927 1.00 0.00 C ATOM 0 H ALA A 18 10.957 -0.300 2.182 1.00 0.00 H new ATOM 0 HA ALA A 18 10.961 1.787 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.394 1.216 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.808 1.229 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.060 -0.318 1.045 1.00 0.00 H new ATOM 323 N GLU A 19 11.212 -1.225 -0.987 1.00 0.00 N ATOM 324 CA GLU A 19 11.189 -1.959 -2.242 1.00 0.00 C ATOM 325 C GLU A 19 9.841 -1.772 -2.921 1.00 0.00 C ATOM 326 O GLU A 19 9.784 -1.456 -4.111 1.00 0.00 O ATOM 327 CB GLU A 19 11.421 -3.451 -1.996 1.00 0.00 C ATOM 328 CG GLU A 19 12.784 -3.798 -1.383 1.00 0.00 C ATOM 329 CD GLU A 19 13.539 -4.812 -2.239 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.890 -4.471 -3.393 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.759 -5.951 -1.772 1.00 0.00 O ATOM 0 H GLU A 19 11.222 -1.815 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 19 11.984 -1.575 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.637 -3.822 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.319 -3.981 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.380 -2.891 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.642 -4.201 -0.380 1.00 0.00 H new ATOM 338 N LEU A 20 8.750 -1.954 -2.162 1.00 0.00 N ATOM 339 CA LEU A 20 7.410 -1.779 -2.694 1.00 0.00 C ATOM 340 C LEU A 20 7.304 -0.361 -3.233 1.00 0.00 C ATOM 341 O LEU A 20 6.930 -0.181 -4.384 1.00 0.00 O ATOM 342 CB LEU A 20 6.334 -2.073 -1.631 1.00 0.00 C ATOM 343 CG LEU A 20 4.906 -1.984 -2.213 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.615 -3.160 -3.150 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.821 -1.986 -1.134 1.00 0.00 C ATOM 0 H LEU A 20 8.780 -2.222 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 20 7.233 -2.492 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.495 -3.068 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.435 -1.366 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 20 4.877 -1.037 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.603 -3.070 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.327 -3.153 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.708 -4.096 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.840 -1.922 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.886 -2.907 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.963 -1.131 -0.473 1.00 0.00 H new ATOM 357 N ALA A 21 7.680 0.624 -2.420 1.00 0.00 N ATOM 358 CA ALA A 21 7.675 2.028 -2.773 1.00 0.00 C ATOM 359 C ALA A 21 8.379 2.270 -4.099 1.00 0.00 C ATOM 360 O ALA A 21 7.771 2.861 -4.993 1.00 0.00 O ATOM 361 CB ALA A 21 8.333 2.852 -1.675 1.00 0.00 C ATOM 0 H ALA A 21 8.006 0.453 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 21 6.636 2.339 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.322 3.906 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.785 2.718 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.364 2.523 -1.541 1.00 0.00 H new ATOM 367 N GLN A 22 9.620 1.795 -4.244 1.00 0.00 N ATOM 368 CA GLN A 22 10.402 2.056 -5.441 1.00 0.00 C ATOM 369 C GLN A 22 9.737 1.418 -6.662 1.00 0.00 C ATOM 370 O GLN A 22 9.717 2.028 -7.736 1.00 0.00 O ATOM 371 CB GLN A 22 11.853 1.585 -5.250 1.00 0.00 C ATOM 372 CG GLN A 22 12.776 2.227 -6.298 1.00 0.00 C ATOM 373 CD GLN A 22 14.226 1.768 -6.161 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.793 1.760 -5.071 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.867 1.382 -7.251 1.00 0.00 N ATOM 0 H GLN A 22 10.098 1.229 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 22 10.436 3.131 -5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.196 1.845 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.902 0.499 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.413 1.981 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.731 3.312 -6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.391 1.391 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.838 1.075 -7.190 1.00 0.00 H new ATOM 384 N LYS A 23 9.151 0.221 -6.537 1.00 0.00 N ATOM 385 CA LYS A 23 8.410 -0.368 -7.637 1.00 0.00 C ATOM 386 C LYS A 23 7.145 0.433 -7.949 1.00 0.00 C ATOM 387 O LYS A 23 6.792 0.530 -9.119 1.00 0.00 O ATOM 388 CB LYS A 23 8.160 -1.853 -7.341 1.00 0.00 C ATOM 389 CG LYS A 23 6.693 -2.233 -7.128 1.00 0.00 C ATOM 390 CD LYS A 23 6.581 -3.702 -6.762 1.00 0.00 C ATOM 391 CE LYS A 23 5.092 -4.043 -6.696 1.00 0.00 C ATOM 392 NZ LYS A 23 4.865 -5.512 -6.705 1.00 0.00 N ATOM 0 H LYS A 23 9.180 -0.347 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 23 8.998 -0.321 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.556 -2.444 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.724 -2.130 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.262 -1.620 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.122 -2.032 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.085 -4.322 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.063 -3.897 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.660 -3.613 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.577 -3.590 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.877 -5.709 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.500 -5.957 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.058 -5.899 -5.759 1.00 0.00 H new ATOM 406 N VAL A 24 6.433 0.983 -6.960 1.00 0.00 N ATOM 407 CA VAL A 24 5.204 1.709 -7.224 1.00 0.00 C ATOM 408 C VAL A 24 5.546 3.079 -7.830 1.00 0.00 C ATOM 409 O VAL A 24 4.778 3.579 -8.652 1.00 0.00 O ATOM 410 CB VAL A 24 4.394 1.865 -5.924 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.986 2.358 -6.245 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.197 0.599 -5.066 1.00 0.00 C ATOM 0 H VAL A 24 6.692 0.935 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 24 4.592 1.154 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 24 5.002 2.560 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.419 2.466 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.044 3.322 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.488 1.638 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.611 0.847 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.672 -0.158 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.169 0.212 -4.760 1.00 0.00 H new ATOM 422 N GLY A 25 6.676 3.678 -7.434 1.00 0.00 N ATOM 423 CA GLY A 25 7.107 5.014 -7.821 1.00 0.00 C ATOM 424 C GLY A 25 6.878 6.067 -6.746 1.00 0.00 C ATOM 425 O GLY A 25 6.804 7.250 -7.074 1.00 0.00 O ATOM 0 H GLY A 25 7.339 3.220 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.168 4.986 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.576 5.310 -8.726 1.00 0.00 H new ATOM 429 N VAL A 26 6.687 5.655 -5.496 1.00 0.00 N ATOM 430 CA VAL A 26 6.519 6.504 -4.338 1.00 0.00 C ATOM 431 C VAL A 26 7.796 6.474 -3.479 1.00 0.00 C ATOM 432 O VAL A 26 8.736 5.735 -3.784 1.00 0.00 O ATOM 433 CB VAL A 26 5.225 6.070 -3.629 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.031 6.108 -4.595 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.230 4.701 -2.947 1.00 0.00 C ATOM 0 H VAL A 26 6.644 4.664 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 26 6.395 7.556 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 26 5.141 6.803 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.128 5.797 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.900 7.122 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.216 5.432 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.258 4.520 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.431 3.926 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.004 4.679 -2.180 1.00 0.00 H new ATOM 445 N ASP A 27 7.861 7.268 -2.407 1.00 0.00 N ATOM 446 CA ASP A 27 8.902 7.186 -1.393 1.00 0.00 C ATOM 447 C ASP A 27 8.539 6.038 -0.446 1.00 0.00 C ATOM 448 O ASP A 27 7.361 5.721 -0.272 1.00 0.00 O ATOM 449 CB ASP A 27 9.008 8.497 -0.578 1.00 0.00 C ATOM 450 CG ASP A 27 7.829 9.466 -0.673 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.701 9.087 -0.295 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.994 10.608 -1.160 1.00 0.00 O ATOM 0 H ASP A 27 7.175 7.999 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 27 9.863 7.018 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.148 8.235 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.907 9.024 -0.898 1.00 0.00 H new ATOM 457 N GLN A 28 9.529 5.454 0.241 1.00 0.00 N ATOM 458 CA GLN A 28 9.305 4.479 1.315 1.00 0.00 C ATOM 459 C GLN A 28 8.285 5.023 2.312 1.00 0.00 C ATOM 460 O GLN A 28 7.385 4.304 2.748 1.00 0.00 O ATOM 461 CB GLN A 28 10.641 4.210 2.015 1.00 0.00 C ATOM 462 CG GLN A 28 10.567 3.295 3.241 1.00 0.00 C ATOM 463 CD GLN A 28 11.814 3.506 4.082 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.917 3.160 3.677 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.660 4.136 5.227 1.00 0.00 N ATOM 0 H GLN A 28 10.515 5.647 0.066 1.00 0.00 H new ATOM 0 HA GLN A 28 8.913 3.551 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.327 3.767 1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.071 5.164 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.675 3.518 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.492 2.253 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.728 4.411 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.473 4.349 5.805 1.00 0.00 H new ATOM 474 N GLN A 29 8.439 6.300 2.655 1.00 0.00 N ATOM 475 CA GLN A 29 7.596 7.031 3.573 1.00 0.00 C ATOM 476 C GLN A 29 6.117 6.910 3.200 1.00 0.00 C ATOM 477 O GLN A 29 5.276 6.803 4.087 1.00 0.00 O ATOM 478 CB GLN A 29 8.097 8.474 3.735 1.00 0.00 C ATOM 479 CG GLN A 29 7.982 8.968 5.185 1.00 0.00 C ATOM 480 CD GLN A 29 9.093 8.427 6.093 1.00 0.00 C ATOM 481 OE1 GLN A 29 9.338 7.224 6.162 1.00 0.00 O ATOM 482 NE2 GLN A 29 9.797 9.294 6.802 1.00 0.00 N ATOM 0 H GLN A 29 9.194 6.873 2.277 1.00 0.00 H new ATOM 0 HA GLN A 29 7.669 6.578 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.137 8.534 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.523 9.132 3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.011 10.058 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.014 8.671 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.589 10.291 6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.547 8.966 7.410 1.00 0.00 H new ATOM 491 N ALA A 30 5.756 7.012 1.920 1.00 0.00 N ATOM 492 CA ALA A 30 4.379 6.824 1.484 1.00 0.00 C ATOM 493 C ALA A 30 3.806 5.440 1.810 1.00 0.00 C ATOM 494 O ALA A 30 2.613 5.349 2.094 1.00 0.00 O ATOM 495 CB ALA A 30 4.272 7.121 -0.005 1.00 0.00 C ATOM 0 H ALA A 30 6.407 7.226 1.165 1.00 0.00 H new ATOM 0 HA ALA A 30 3.769 7.528 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.241 6.980 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.575 8.151 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.923 6.445 -0.559 1.00 0.00 H new ATOM 501 N ILE A 31 4.591 4.362 1.773 1.00 0.00 N ATOM 502 CA ILE A 31 4.105 3.050 2.200 1.00 0.00 C ATOM 503 C ILE A 31 4.062 3.016 3.732 1.00 0.00 C ATOM 504 O ILE A 31 3.094 2.525 4.303 1.00 0.00 O ATOM 505 CB ILE A 31 4.992 1.939 1.605 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.133 2.054 0.070 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.450 0.542 1.955 1.00 0.00 C ATOM 508 CD1 ILE A 31 3.842 2.172 -0.752 1.00 0.00 C ATOM 0 H ILE A 31 5.560 4.371 1.454 1.00 0.00 H new ATOM 0 HA ILE A 31 3.095 2.873 1.831 1.00 0.00 H new ATOM 0 HB ILE A 31 5.977 2.072 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.751 2.925 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.679 1.180 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.098 -0.219 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.425 0.422 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.442 0.432 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.090 2.245 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.222 1.291 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.295 3.064 -0.445 1.00 0.00 H new ATOM 520 N GLU A 32 5.084 3.559 4.403 1.00 0.00 N ATOM 521 CA GLU A 32 5.179 3.598 5.861 1.00 0.00 C ATOM 522 C GLU A 32 3.955 4.290 6.450 1.00 0.00 C ATOM 523 O GLU A 32 3.271 3.736 7.312 1.00 0.00 O ATOM 524 CB GLU A 32 6.486 4.304 6.265 1.00 0.00 C ATOM 525 CG GLU A 32 6.707 4.343 7.785 1.00 0.00 C ATOM 526 CD GLU A 32 6.415 5.716 8.408 1.00 0.00 C ATOM 527 OE1 GLU A 32 5.255 6.183 8.396 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.357 6.323 8.972 1.00 0.00 O ATOM 0 H GLU A 32 5.882 3.991 3.936 1.00 0.00 H new ATOM 0 HA GLU A 32 5.201 2.584 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.327 3.794 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.475 5.323 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.070 3.595 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.738 4.066 8.002 1.00 0.00 H new ATOM 535 N GLN A 33 3.646 5.487 5.951 1.00 0.00 N ATOM 536 CA GLN A 33 2.543 6.278 6.452 1.00 0.00 C ATOM 537 C GLN A 33 1.231 5.530 6.194 1.00 0.00 C ATOM 538 O GLN A 33 0.306 5.601 6.991 1.00 0.00 O ATOM 539 CB GLN A 33 2.570 7.682 5.826 1.00 0.00 C ATOM 540 CG GLN A 33 1.929 7.736 4.438 1.00 0.00 C ATOM 541 CD GLN A 33 2.030 9.108 3.786 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.022 9.774 3.555 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.231 9.553 3.461 1.00 0.00 N ATOM 0 H GLN A 33 4.159 5.928 5.188 1.00 0.00 H new ATOM 0 HA GLN A 33 2.632 6.420 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.051 8.377 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.603 8.021 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.408 6.998 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.879 7.455 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.056 8.987 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.333 10.463 3.011 1.00 0.00 H new ATOM 552 N LEU A 34 1.116 4.808 5.081 1.00 0.00 N ATOM 553 CA LEU A 34 -0.090 4.070 4.767 1.00 0.00 C ATOM 554 C LEU A 34 -0.297 2.956 5.775 1.00 0.00 C ATOM 555 O LEU A 34 -1.403 2.766 6.271 1.00 0.00 O ATOM 556 CB LEU A 34 0.044 3.486 3.364 1.00 0.00 C ATOM 557 CG LEU A 34 -0.802 4.305 2.395 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.397 3.889 0.982 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.309 4.086 2.551 1.00 0.00 C ATOM 0 H LEU A 34 1.853 4.723 4.381 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.951 4.737 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.088 3.496 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.280 2.445 3.358 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.620 5.359 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.981 4.454 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.663 4.093 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.584 2.823 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.843 4.702 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.544 3.036 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.614 4.363 3.560 1.00 0.00 H new ATOM 571 N GLU A 35 0.773 2.236 6.093 1.00 0.00 N ATOM 572 CA GLU A 35 0.740 1.191 7.106 1.00 0.00 C ATOM 573 C GLU A 35 0.483 1.764 8.504 1.00 0.00 C ATOM 574 O GLU A 35 -0.061 1.073 9.366 1.00 0.00 O ATOM 575 CB GLU A 35 2.011 0.351 7.062 1.00 0.00 C ATOM 576 CG GLU A 35 2.087 -0.503 5.791 1.00 0.00 C ATOM 577 CD GLU A 35 3.355 -1.347 5.711 1.00 0.00 C ATOM 578 OE1 GLU A 35 3.978 -1.701 6.746 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.748 -1.712 4.582 1.00 0.00 O ATOM 0 H GLU A 35 1.686 2.361 5.656 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.099 0.533 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.881 1.006 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.049 -0.297 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.218 -1.159 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.036 0.149 4.919 1.00 0.00 H new ATOM 586 N ASN A 36 0.831 3.030 8.740 1.00 0.00 N ATOM 587 CA ASN A 36 0.467 3.789 9.932 1.00 0.00 C ATOM 588 C ASN A 36 -1.024 4.142 9.969 1.00 0.00 C ATOM 589 O ASN A 36 -1.543 4.449 11.045 1.00 0.00 O ATOM 590 CB ASN A 36 1.270 5.102 9.944 1.00 0.00 C ATOM 591 CG ASN A 36 2.404 5.112 10.942 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.231 4.707 12.089 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.572 5.585 10.547 1.00 0.00 N ATOM 0 H ASN A 36 1.393 3.571 8.083 1.00 0.00 H new ATOM 0 HA ASN A 36 0.690 3.167 10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.674 5.280 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.595 5.928 10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.355 5.620 11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.691 5.915 9.589 1.00 0.00 H new ATOM 600 N GLY A 37 -1.698 4.154 8.816 1.00 0.00 N ATOM 601 CA GLY A 37 -3.023 4.734 8.640 1.00 0.00 C ATOM 602 C GLY A 37 -2.975 6.254 8.444 1.00 0.00 C ATOM 603 O GLY A 37 -4.008 6.913 8.549 1.00 0.00 O ATOM 0 H GLY A 37 -1.323 3.748 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.506 4.274 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.637 4.502 9.510 1.00 0.00 H new ATOM 607 N LYS A 38 -1.802 6.847 8.187 1.00 0.00 N ATOM 608 CA LYS A 38 -1.610 8.282 8.012 1.00 0.00 C ATOM 609 C LYS A 38 -2.124 8.740 6.644 1.00 0.00 C ATOM 610 O LYS A 38 -2.347 9.942 6.482 1.00 0.00 O ATOM 611 CB LYS A 38 -0.114 8.635 8.143 1.00 0.00 C ATOM 612 CG LYS A 38 0.309 9.279 9.471 1.00 0.00 C ATOM 613 CD LYS A 38 1.313 10.431 9.307 1.00 0.00 C ATOM 614 CE LYS A 38 0.570 11.740 9.007 1.00 0.00 C ATOM 615 NZ LYS A 38 1.437 12.937 9.081 1.00 0.00 N ATOM 0 H LYS A 38 -0.935 6.318 8.093 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.177 8.796 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.468 7.724 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.152 9.313 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.578 9.652 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.748 8.514 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.905 10.540 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.009 10.205 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.130 11.680 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.253 11.852 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.875 13.786 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.837 13.017 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.209 12.850 8.389 1.00 0.00 H new ATOM 629 N ALA A 39 -2.281 7.863 5.640 1.00 0.00 N ATOM 630 CA ALA A 39 -3.063 8.171 4.453 1.00 0.00 C ATOM 631 C ALA A 39 -4.284 7.261 4.472 1.00 0.00 C ATOM 632 O ALA A 39 -4.105 6.046 4.443 1.00 0.00 O ATOM 633 CB ALA A 39 -2.211 7.917 3.208 1.00 0.00 C ATOM 0 H ALA A 39 -1.869 6.930 5.636 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.376 9.215 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.793 8.147 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.326 8.552 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.906 6.871 3.183 1.00 0.00 H new ATOM 639 N LYS A 40 -5.501 7.816 4.513 1.00 0.00 N ATOM 640 CA LYS A 40 -6.704 7.015 4.298 1.00 0.00 C ATOM 641 C LYS A 40 -6.773 6.675 2.814 1.00 0.00 C ATOM 642 O LYS A 40 -6.563 5.525 2.454 1.00 0.00 O ATOM 643 CB LYS A 40 -7.982 7.695 4.833 1.00 0.00 C ATOM 644 CG LYS A 40 -9.146 6.705 5.070 1.00 0.00 C ATOM 645 CD LYS A 40 -9.575 5.876 3.843 1.00 0.00 C ATOM 646 CE LYS A 40 -10.829 5.037 4.105 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.081 5.694 3.682 1.00 0.00 N ATOM 0 H LYS A 40 -5.675 8.805 4.691 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.644 6.093 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.750 8.204 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.302 8.460 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.859 6.019 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.010 7.266 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.760 6.546 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.757 5.218 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.734 4.085 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.889 4.812 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.887 5.071 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.195 6.590 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.045 5.885 2.660 1.00 0.00 H new ATOM 661 N ARG A 41 -7.089 7.630 1.934 1.00 0.00 N ATOM 662 CA ARG A 41 -7.202 7.354 0.503 1.00 0.00 C ATOM 663 C ARG A 41 -5.916 7.943 -0.084 1.00 0.00 C ATOM 664 O ARG A 41 -5.869 9.158 -0.277 1.00 0.00 O ATOM 665 CB ARG A 41 -8.488 7.999 -0.060 1.00 0.00 C ATOM 666 CG ARG A 41 -8.532 8.032 -1.596 1.00 0.00 C ATOM 667 CD ARG A 41 -9.698 8.872 -2.129 1.00 0.00 C ATOM 668 NE ARG A 41 -9.463 10.323 -2.067 1.00 0.00 N ATOM 669 CZ ARG A 41 -8.594 11.038 -2.797 1.00 0.00 C ATOM 670 NH1 ARG A 41 -7.720 10.455 -3.613 1.00 0.00 N ATOM 671 NH2 ARG A 41 -8.608 12.360 -2.709 1.00 0.00 N ATOM 0 H ARG A 41 -7.271 8.601 2.190 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.292 6.296 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.353 7.449 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.572 9.017 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.593 8.436 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.617 7.014 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.894 8.589 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.595 8.634 -1.558 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.024 10.844 -1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.699 9.439 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.071 11.024 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.275 12.823 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.952 12.915 -3.259 1.00 0.00 H new ATOM 685 N PRO A 42 -4.845 7.165 -0.305 1.00 0.00 N ATOM 686 CA PRO A 42 -3.583 7.731 -0.757 1.00 0.00 C ATOM 687 C PRO A 42 -3.732 8.278 -2.179 1.00 0.00 C ATOM 688 O PRO A 42 -4.416 7.685 -3.011 1.00 0.00 O ATOM 689 CB PRO A 42 -2.568 6.587 -0.669 1.00 0.00 C ATOM 690 CG PRO A 42 -3.422 5.326 -0.789 1.00 0.00 C ATOM 691 CD PRO A 42 -4.743 5.727 -0.140 1.00 0.00 C ATOM 0 HA PRO A 42 -3.256 8.575 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.829 6.646 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.021 6.610 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.559 5.032 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.963 4.480 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.582 5.219 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.760 5.452 0.915 1.00 0.00 H new ATOM 699 N ARG A 43 -3.030 9.364 -2.507 1.00 0.00 N ATOM 700 CA ARG A 43 -3.074 9.962 -3.846 1.00 0.00 C ATOM 701 C ARG A 43 -2.592 9.020 -4.950 1.00 0.00 C ATOM 702 O ARG A 43 -2.820 9.288 -6.126 1.00 0.00 O ATOM 703 CB ARG A 43 -2.335 11.316 -3.854 1.00 0.00 C ATOM 704 CG ARG A 43 -0.819 11.296 -3.584 1.00 0.00 C ATOM 705 CD ARG A 43 0.008 10.971 -4.835 1.00 0.00 C ATOM 706 NE ARG A 43 1.433 10.768 -4.538 1.00 0.00 N ATOM 707 CZ ARG A 43 2.318 10.227 -5.385 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.954 9.857 -6.611 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.567 10.044 -4.985 1.00 0.00 N ATOM 0 H ARG A 43 -2.416 9.854 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.122 10.147 -4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.498 11.783 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.802 11.959 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.512 12.267 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.603 10.559 -2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.392 10.073 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.096 11.783 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 43 1.772 11.060 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.989 9.984 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.640 9.446 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.845 10.314 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.251 9.633 -5.620 1.00 0.00 H new ATOM 723 N PHE A 44 -1.894 7.944 -4.589 1.00 0.00 N ATOM 724 CA PHE A 44 -1.326 6.946 -5.485 1.00 0.00 C ATOM 725 C PHE A 44 -2.070 5.609 -5.356 1.00 0.00 C ATOM 726 O PHE A 44 -1.525 4.566 -5.698 1.00 0.00 O ATOM 727 CB PHE A 44 0.184 6.801 -5.225 1.00 0.00 C ATOM 728 CG PHE A 44 0.522 6.536 -3.775 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.612 7.594 -2.852 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.737 5.217 -3.350 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.861 7.328 -1.499 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.006 4.946 -2.000 1.00 0.00 C ATOM 733 CZ PHE A 44 1.046 6.002 -1.075 1.00 0.00 C ATOM 0 H PHE A 44 -1.701 7.737 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.453 7.278 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.574 5.986 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.690 7.711 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.489 8.613 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.695 4.408 -4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.910 8.138 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.181 3.931 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.220 5.793 -0.030 1.00 0.00 H new ATOM 743 N LEU A 45 -3.287 5.591 -4.807 1.00 0.00 N ATOM 744 CA LEU A 45 -4.078 4.397 -4.542 1.00 0.00 C ATOM 745 C LEU A 45 -4.156 3.411 -5.716 1.00 0.00 C ATOM 746 O LEU A 45 -3.847 2.240 -5.484 1.00 0.00 O ATOM 747 CB LEU A 45 -5.443 4.885 -4.018 1.00 0.00 C ATOM 748 CG LEU A 45 -6.496 3.823 -3.723 1.00 0.00 C ATOM 749 CD1 LEU A 45 -6.027 2.767 -2.722 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.730 4.530 -3.150 1.00 0.00 C ATOM 0 H LEU A 45 -3.764 6.447 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.588 3.782 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.270 5.453 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.858 5.578 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.711 3.301 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.824 2.042 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.148 2.257 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.773 3.248 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.502 3.793 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.456 5.055 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.110 5.246 -3.879 1.00 0.00 H new ATOM 762 N PRO A 46 -4.512 3.799 -6.954 1.00 0.00 N ATOM 763 CA PRO A 46 -4.525 2.846 -8.052 1.00 0.00 C ATOM 764 C PRO A 46 -3.132 2.384 -8.450 1.00 0.00 C ATOM 765 O PRO A 46 -2.995 1.233 -8.855 1.00 0.00 O ATOM 766 CB PRO A 46 -5.241 3.532 -9.208 1.00 0.00 C ATOM 767 CG PRO A 46 -5.049 5.015 -8.926 1.00 0.00 C ATOM 768 CD PRO A 46 -5.017 5.086 -7.400 1.00 0.00 C ATOM 0 HA PRO A 46 -5.042 1.935 -7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.812 3.249 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.297 3.264 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.125 5.391 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.863 5.611 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.374 5.898 -7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.011 5.277 -6.997 1.00 0.00 H new ATOM 776 N GLU A 47 -2.101 3.216 -8.310 1.00 0.00 N ATOM 777 CA GLU A 47 -0.744 2.859 -8.662 1.00 0.00 C ATOM 778 C GLU A 47 -0.236 1.834 -7.669 1.00 0.00 C ATOM 779 O GLU A 47 0.394 0.855 -8.073 1.00 0.00 O ATOM 780 CB GLU A 47 0.179 4.073 -8.583 1.00 0.00 C ATOM 781 CG GLU A 47 -0.133 5.168 -9.597 1.00 0.00 C ATOM 782 CD GLU A 47 -0.729 6.390 -8.917 1.00 0.00 C ATOM 783 OE1 GLU A 47 -1.930 6.365 -8.579 1.00 0.00 O ATOM 784 OE2 GLU A 47 0.013 7.382 -8.714 1.00 0.00 O ATOM 0 H GLU A 47 -2.194 4.164 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.746 2.468 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.119 4.495 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.207 3.742 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.778 5.450 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.829 4.788 -10.344 1.00 0.00 H new ATOM 791 N LEU A 48 -0.511 2.072 -6.380 1.00 0.00 N ATOM 792 CA LEU A 48 -0.215 1.159 -5.304 1.00 0.00 C ATOM 793 C LEU A 48 -0.887 -0.138 -5.634 1.00 0.00 C ATOM 794 O LEU A 48 -0.184 -1.127 -5.714 1.00 0.00 O ATOM 795 CB LEU A 48 -0.676 1.675 -3.936 1.00 0.00 C ATOM 796 CG LEU A 48 -0.407 0.668 -2.798 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.071 0.285 -2.668 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.864 1.281 -1.477 1.00 0.00 C ATOM 0 H LEU A 48 -0.958 2.933 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 48 0.865 1.042 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.165 2.612 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.743 1.895 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.961 -0.240 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.192 -0.425 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.412 -0.170 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.662 1.178 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.678 0.577 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.311 2.202 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.930 1.503 -1.528 1.00 0.00 H new ATOM 810 N ALA A 49 -2.202 -0.147 -5.841 1.00 0.00 N ATOM 811 CA ALA A 49 -2.907 -1.413 -6.036 1.00 0.00 C ATOM 812 C ALA A 49 -2.404 -2.146 -7.284 1.00 0.00 C ATOM 813 O ALA A 49 -2.224 -3.357 -7.215 1.00 0.00 O ATOM 814 CB ALA A 49 -4.415 -1.146 -6.142 1.00 0.00 C ATOM 0 H ALA A 49 -2.790 0.686 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.710 -2.055 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.942 -2.089 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.766 -0.672 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.609 -0.487 -6.989 1.00 0.00 H new ATOM 820 N ARG A 50 -2.113 -1.457 -8.394 1.00 0.00 N ATOM 821 CA ARG A 50 -1.582 -2.084 -9.610 1.00 0.00 C ATOM 822 C ARG A 50 -0.194 -2.675 -9.350 1.00 0.00 C ATOM 823 O ARG A 50 0.124 -3.768 -9.823 1.00 0.00 O ATOM 824 CB ARG A 50 -1.551 -1.032 -10.744 1.00 0.00 C ATOM 825 CG ARG A 50 -1.806 -1.561 -12.160 1.00 0.00 C ATOM 826 CD ARG A 50 -0.767 -2.528 -12.722 1.00 0.00 C ATOM 827 NE ARG A 50 0.565 -1.928 -12.903 1.00 0.00 N ATOM 828 CZ ARG A 50 1.634 -2.584 -13.371 1.00 0.00 C ATOM 829 NH1 ARG A 50 1.560 -3.877 -13.676 1.00 0.00 N ATOM 830 NH2 ARG A 50 2.775 -1.932 -13.527 1.00 0.00 N ATOM 0 H ARG A 50 -2.239 -0.448 -8.474 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.228 -2.908 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.296 -0.268 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.578 -0.541 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.776 -2.059 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.879 -0.708 -12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.682 -3.384 -12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.118 -2.907 -13.682 1.00 0.00 H new ATOM 0 HE ARG A 50 0.681 -0.945 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.681 -4.380 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.382 -4.365 -14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.833 -0.941 -13.291 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.597 -2.420 -13.883 1.00 0.00 H new ATOM 844 N ALA A 51 0.645 -1.977 -8.584 1.00 0.00 N ATOM 845 CA ALA A 51 1.928 -2.489 -8.145 1.00 0.00 C ATOM 846 C ALA A 51 1.716 -3.709 -7.242 1.00 0.00 C ATOM 847 O ALA A 51 2.307 -4.758 -7.469 1.00 0.00 O ATOM 848 CB ALA A 51 2.717 -1.383 -7.438 1.00 0.00 C ATOM 0 H ALA A 51 0.445 -1.034 -8.252 1.00 0.00 H new ATOM 0 HA ALA A 51 2.513 -2.811 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.680 -1.775 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.878 -0.554 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.155 -1.032 -6.572 1.00 0.00 H new ATOM 854 N LEU A 52 0.891 -3.573 -6.205 1.00 0.00 N ATOM 855 CA LEU A 52 0.585 -4.575 -5.189 1.00 0.00 C ATOM 856 C LEU A 52 -0.079 -5.811 -5.791 1.00 0.00 C ATOM 857 O LEU A 52 0.049 -6.902 -5.237 1.00 0.00 O ATOM 858 CB LEU A 52 -0.315 -3.952 -4.103 1.00 0.00 C ATOM 859 CG LEU A 52 0.342 -3.841 -2.701 1.00 0.00 C ATOM 860 CD1 LEU A 52 -0.718 -3.527 -1.649 1.00 0.00 C ATOM 861 CD2 LEU A 52 1.206 -5.021 -2.225 1.00 0.00 C ATOM 0 H LEU A 52 0.386 -2.702 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 52 1.524 -4.901 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.617 -2.956 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.223 -4.548 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 52 1.057 -3.027 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.247 -3.451 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.203 -2.582 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.462 -4.323 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.600 -4.806 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.598 -5.925 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.033 -5.169 -2.919 1.00 0.00 H new ATOM 873 N GLY A 53 -0.760 -5.644 -6.918 1.00 0.00 N ATOM 874 CA GLY A 53 -1.460 -6.673 -7.657 1.00 0.00 C ATOM 875 C GLY A 53 -2.835 -6.921 -7.061 1.00 0.00 C ATOM 876 O GLY A 53 -3.201 -8.079 -6.889 1.00 0.00 O ATOM 0 H GLY A 53 -0.840 -4.729 -7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.559 -6.375 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.880 -7.596 -7.643 1.00 0.00 H new ATOM 880 N VAL A 54 -3.559 -5.882 -6.644 1.00 0.00 N ATOM 881 CA VAL A 54 -4.901 -6.005 -6.067 1.00 0.00 C ATOM 882 C VAL A 54 -5.792 -4.901 -6.648 1.00 0.00 C ATOM 883 O VAL A 54 -5.314 -4.036 -7.389 1.00 0.00 O ATOM 884 CB VAL A 54 -4.845 -6.000 -4.518 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.905 -7.072 -3.948 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.432 -4.635 -3.962 1.00 0.00 C ATOM 0 H VAL A 54 -3.227 -4.919 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.341 -6.965 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.862 -6.229 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.909 -7.018 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.244 -8.059 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.893 -6.902 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.406 -4.678 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.443 -4.373 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.152 -3.880 -4.278 1.00 0.00 H new ATOM 896 N ALA A 55 -7.086 -4.909 -6.325 1.00 0.00 N ATOM 897 CA ALA A 55 -7.986 -3.823 -6.684 1.00 0.00 C ATOM 898 C ALA A 55 -7.817 -2.646 -5.720 1.00 0.00 C ATOM 899 O ALA A 55 -7.496 -2.835 -4.549 1.00 0.00 O ATOM 900 CB ALA A 55 -9.428 -4.333 -6.650 1.00 0.00 C ATOM 0 H ALA A 55 -7.534 -5.667 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.747 -3.476 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.107 -3.523 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.541 -5.152 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.665 -4.688 -5.647 1.00 0.00 H new ATOM 906 N VAL A 56 -8.153 -1.437 -6.166 1.00 0.00 N ATOM 907 CA VAL A 56 -8.379 -0.298 -5.278 1.00 0.00 C ATOM 908 C VAL A 56 -9.515 -0.618 -4.314 1.00 0.00 C ATOM 909 O VAL A 56 -9.419 -0.250 -3.151 1.00 0.00 O ATOM 910 CB VAL A 56 -8.698 0.937 -6.143 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.259 2.102 -5.325 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.418 1.380 -6.854 1.00 0.00 C ATOM 0 H VAL A 56 -8.276 -1.219 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.491 -0.089 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.468 0.653 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.465 2.944 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.181 1.791 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.530 2.402 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.628 2.254 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.659 1.632 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.053 0.570 -7.485 1.00 0.00 H new ATOM 922 N ASP A 57 -10.557 -1.326 -4.751 1.00 0.00 N ATOM 923 CA ASP A 57 -11.656 -1.698 -3.863 1.00 0.00 C ATOM 924 C ASP A 57 -11.173 -2.644 -2.762 1.00 0.00 C ATOM 925 O ASP A 57 -11.550 -2.487 -1.602 1.00 0.00 O ATOM 926 CB ASP A 57 -12.785 -2.341 -4.672 1.00 0.00 C ATOM 927 CG ASP A 57 -14.134 -2.205 -3.971 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.280 -2.571 -2.788 1.00 0.00 O ATOM 929 OD2 ASP A 57 -15.074 -1.681 -4.615 1.00 0.00 O ATOM 0 H ASP A 57 -10.662 -1.652 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.036 -0.796 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.838 -1.875 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.563 -3.396 -4.831 1.00 0.00 H new ATOM 934 N TRP A 58 -10.253 -3.560 -3.092 1.00 0.00 N ATOM 935 CA TRP A 58 -9.628 -4.426 -2.104 1.00 0.00 C ATOM 936 C TRP A 58 -8.819 -3.569 -1.152 1.00 0.00 C ATOM 937 O TRP A 58 -8.872 -3.771 0.050 1.00 0.00 O ATOM 938 CB TRP A 58 -8.686 -5.428 -2.764 1.00 0.00 C ATOM 939 CG TRP A 58 -8.019 -6.388 -1.830 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.541 -7.573 -1.477 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.751 -6.291 -1.108 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.699 -8.223 -0.603 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.569 -7.485 -0.351 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.734 -5.320 -1.009 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.437 -7.712 0.442 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.589 -5.531 -0.213 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.448 -6.723 0.520 1.00 0.00 C ATOM 0 H TRP A 58 -9.928 -3.715 -4.046 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.411 -4.973 -1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.248 -5.998 -3.504 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.916 -4.877 -3.304 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.486 -7.961 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.891 -9.138 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.834 -4.394 -1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.328 -8.638 0.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.819 -4.775 -0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.578 -6.876 1.142 1.00 0.00 H new ATOM 958 N LEU A 59 -8.054 -2.614 -1.675 1.00 0.00 N ATOM 959 CA LEU A 59 -7.281 -1.723 -0.841 1.00 0.00 C ATOM 960 C LEU A 59 -8.191 -0.972 0.118 1.00 0.00 C ATOM 961 O LEU A 59 -7.992 -1.071 1.323 1.00 0.00 O ATOM 962 CB LEU A 59 -6.394 -0.821 -1.693 1.00 0.00 C ATOM 963 CG LEU A 59 -4.947 -1.331 -1.798 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.114 -0.247 -2.472 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.241 -1.635 -0.464 1.00 0.00 C ATOM 0 H LEU A 59 -7.959 -2.444 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.599 -2.301 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.819 -0.742 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.390 0.183 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.018 -2.271 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.081 -0.584 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.515 -0.045 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.150 0.664 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.228 -1.987 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.199 -0.729 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.795 -2.405 0.074 1.00 0.00 H new ATOM 977 N LEU A 60 -9.204 -0.278 -0.387 1.00 0.00 N ATOM 978 CA LEU A 60 -10.126 0.512 0.409 1.00 0.00 C ATOM 979 C LEU A 60 -10.811 -0.357 1.457 1.00 0.00 C ATOM 980 O LEU A 60 -10.756 -0.037 2.645 1.00 0.00 O ATOM 981 CB LEU A 60 -11.156 1.173 -0.520 1.00 0.00 C ATOM 982 CG LEU A 60 -10.588 2.384 -1.289 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.573 2.837 -2.369 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.272 3.569 -0.363 1.00 0.00 C ATOM 0 H LEU A 60 -9.409 -0.251 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.575 1.290 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.519 0.434 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.014 1.495 0.070 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.654 2.057 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.159 3.692 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.746 2.020 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.517 3.122 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.875 4.396 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.183 3.889 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.533 3.264 0.378 1.00 0.00 H new ATOM 996 N ASN A 61 -11.439 -1.447 1.018 1.00 0.00 N ATOM 997 CA ASN A 61 -12.481 -2.146 1.763 1.00 0.00 C ATOM 998 C ASN A 61 -12.112 -3.566 2.172 1.00 0.00 C ATOM 999 O ASN A 61 -12.700 -4.070 3.128 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.745 -2.224 0.905 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.199 -0.843 0.453 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.497 0.030 1.269 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.236 -0.597 -0.842 1.00 0.00 N ATOM 0 H ASN A 61 -11.232 -1.876 0.116 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.629 -1.572 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.556 -2.849 0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.543 -2.702 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.514 0.325 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.987 -1.329 -1.507 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.179 -4.218 1.471 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.581 -5.473 1.896 1.00 0.00 C ATOM 1012 C GLY A 62 -11.570 -6.597 2.104 1.00 0.00 C ATOM 1013 O GLY A 62 -11.812 -7.012 3.237 1.00 0.00 O ATOM 0 H GLY A 62 -10.817 -3.878 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.848 -5.783 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.038 -5.306 2.826 1.00 0.00 H new ATOM 1017 N ALA A 63 -12.075 -7.132 0.995 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.871 -8.352 0.962 1.00 0.00 C ATOM 1019 C ALA A 63 -14.129 -8.181 1.805 1.00 0.00 C ATOM 1020 O ALA A 63 -15.090 -7.588 1.300 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.047 -9.580 1.375 1.00 0.00 C ATOM 0 H ALA A 63 -11.938 -6.718 0.073 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.184 -8.534 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.676 -10.469 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.207 -9.701 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.673 -9.443 2.389 1.00 0.00 H new