USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 452 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 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.004) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.33) USER MOD Single : A 160 LYS NZ :NH3+ -151:sc= -0.156 (180deg=-0.908) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -0.865 K(o=-0.87,f=-1.8!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 4.809 -18.072 0.584 1.00 0.00 N ATOM 2 CA ALA A 127 3.606 -17.204 0.671 1.00 0.00 C ATOM 3 C ALA A 127 2.824 -17.220 -0.638 1.00 0.00 C ATOM 4 O ALA A 127 3.291 -17.752 -1.646 1.00 0.00 O ATOM 5 CB ALA A 127 4.007 -15.782 1.029 1.00 0.00 C ATOM 0 HA ALA A 127 2.960 -17.597 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 127 3.116 -15.157 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 127 4.518 -15.780 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 127 4.675 -15.388 0.263 1.00 0.00 H new ATOM 13 N GLN A 128 1.632 -16.631 -0.616 1.00 0.00 N ATOM 14 CA GLN A 128 0.786 -16.576 -1.802 1.00 0.00 C ATOM 15 C GLN A 128 -0.294 -15.509 -1.648 1.00 0.00 C ATOM 16 O GLN A 128 -1.428 -15.689 -2.089 1.00 0.00 O ATOM 17 CB GLN A 128 0.138 -17.939 -2.057 1.00 0.00 C ATOM 18 CG GLN A 128 -0.437 -18.087 -3.455 1.00 0.00 C ATOM 19 CD GLN A 128 -0.044 -19.397 -4.113 1.00 0.00 C ATOM 20 OE1 GLN A 128 -0.706 -20.418 -3.929 1.00 0.00 O ATOM 21 NE2 GLN A 128 1.037 -19.372 -4.883 1.00 0.00 N ATOM 0 H GLN A 128 1.231 -16.186 0.210 1.00 0.00 H new ATOM 0 HA GLN A 128 1.414 -16.315 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 128 0.880 -18.721 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -0.657 -18.096 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.524 -18.022 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -0.096 -17.257 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 128 1.555 -18.502 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 128 1.350 -20.223 -5.351 1.00 0.00 H new ATOM 30 N VAL A 129 0.069 -14.396 -1.016 1.00 0.00 N ATOM 31 CA VAL A 129 -0.866 -13.299 -0.801 1.00 0.00 C ATOM 32 C VAL A 129 -0.557 -12.124 -1.724 1.00 0.00 C ATOM 33 O VAL A 129 0.596 -11.713 -1.857 1.00 0.00 O ATOM 34 CB VAL A 129 -0.837 -12.815 0.662 1.00 0.00 C ATOM 35 CG1 VAL A 129 0.537 -12.272 1.024 1.00 0.00 C ATOM 36 CG2 VAL A 129 -1.913 -11.767 0.900 1.00 0.00 C ATOM 0 H VAL A 129 1.004 -14.231 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.861 -13.681 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 129 -1.043 -13.668 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.534 -11.936 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 129 1.283 -13.057 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 129 0.780 -11.433 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.877 -11.438 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.742 -10.914 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.892 -12.197 0.690 1.00 0.00 H new ATOM 46 N ALA A 130 -1.594 -11.589 -2.362 1.00 0.00 N ATOM 47 CA ALA A 130 -1.433 -10.462 -3.271 1.00 0.00 C ATOM 48 C ALA A 130 -1.018 -9.203 -2.517 1.00 0.00 C ATOM 49 O ALA A 130 -0.006 -8.580 -2.839 1.00 0.00 O ATOM 50 CB ALA A 130 -2.723 -10.217 -4.041 1.00 0.00 C ATOM 0 H ALA A 130 -2.554 -11.919 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.641 -10.708 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.589 -9.372 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.977 -11.106 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -3.529 -9.997 -3.341 1.00 0.00 H new ATOM 56 N PHE A 131 -1.805 -8.836 -1.512 1.00 0.00 N ATOM 57 CA PHE A 131 -1.519 -7.651 -0.711 1.00 0.00 C ATOM 58 C PHE A 131 -0.767 -8.024 0.563 1.00 0.00 C ATOM 59 O PHE A 131 -1.078 -9.024 1.209 1.00 0.00 O ATOM 60 CB PHE A 131 -2.817 -6.924 -0.355 1.00 0.00 C ATOM 61 CG PHE A 131 -2.666 -5.431 -0.273 1.00 0.00 C ATOM 62 CD1 PHE A 131 -1.946 -4.851 0.759 1.00 0.00 C ATOM 63 CD2 PHE A 131 -3.245 -4.610 -1.227 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.806 -3.478 0.837 1.00 0.00 C ATOM 65 CE2 PHE A 131 -3.107 -3.236 -1.155 1.00 0.00 C ATOM 66 CZ PHE A 131 -2.386 -2.670 -0.121 1.00 0.00 C ATOM 0 H PHE A 131 -2.646 -9.341 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 131 -0.889 -6.987 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -3.575 -7.164 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.182 -7.297 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.489 -5.478 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.811 -5.048 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.243 -3.037 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -3.562 -2.606 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 131 -2.276 -1.597 -0.062 1.00 0.00 H new ATOM 76 N ARG A 132 0.224 -7.212 0.918 1.00 0.00 N ATOM 77 CA ARG A 132 1.021 -7.457 2.114 1.00 0.00 C ATOM 78 C ARG A 132 1.475 -6.144 2.744 1.00 0.00 C ATOM 79 O ARG A 132 1.779 -5.180 2.040 1.00 0.00 O ATOM 80 CB ARG A 132 2.236 -8.324 1.778 1.00 0.00 C ATOM 81 CG ARG A 132 2.835 -9.024 2.985 1.00 0.00 C ATOM 82 CD ARG A 132 3.848 -10.079 2.571 1.00 0.00 C ATOM 83 NE ARG A 132 4.532 -10.662 3.722 1.00 0.00 N ATOM 84 CZ ARG A 132 5.536 -10.071 4.366 1.00 0.00 C ATOM 85 NH1 ARG A 132 5.975 -8.881 3.977 1.00 0.00 N ATOM 86 NH2 ARG A 132 6.103 -10.671 5.404 1.00 0.00 N ATOM 0 H ARG A 132 0.494 -6.379 0.394 1.00 0.00 H new ATOM 0 HA ARG A 132 0.396 -7.987 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.945 -9.073 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 132 3.000 -7.700 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.316 -8.290 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.041 -9.490 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.343 -10.867 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 132 4.583 -9.633 1.900 1.00 0.00 H new ATOM 0 HE ARG A 132 4.222 -11.576 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.543 -8.413 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 132 6.745 -8.434 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.770 -11.586 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 132 6.872 -10.218 5.897 1.00 0.00 H new ATOM 100 N GLU A 133 1.520 -6.114 4.071 1.00 0.00 N ATOM 101 CA GLU A 133 1.938 -4.918 4.795 1.00 0.00 C ATOM 102 C GLU A 133 3.358 -4.520 4.414 1.00 0.00 C ATOM 103 O GLU A 133 4.307 -5.274 4.636 1.00 0.00 O ATOM 104 CB GLU A 133 1.848 -5.152 6.304 1.00 0.00 C ATOM 105 CG GLU A 133 2.716 -6.299 6.795 1.00 0.00 C ATOM 106 CD GLU A 133 2.026 -7.144 7.847 1.00 0.00 C ATOM 107 OE1 GLU A 133 0.849 -7.507 7.640 1.00 0.00 O ATOM 108 OE2 GLU A 133 2.661 -7.442 8.880 1.00 0.00 O ATOM 0 H GLU A 133 1.272 -6.903 4.668 1.00 0.00 H new ATOM 0 HA GLU A 133 1.267 -4.104 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.140 -4.239 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.810 -5.353 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.990 -6.930 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 133 3.642 -5.898 7.207 1.00 0.00 H new ATOM 115 N GLY A 134 3.499 -3.331 3.838 1.00 0.00 N ATOM 116 CA GLY A 134 4.807 -2.851 3.434 1.00 0.00 C ATOM 117 C GLY A 134 5.000 -2.870 1.930 1.00 0.00 C ATOM 118 O GLY A 134 6.127 -2.785 1.442 1.00 0.00 O ATOM 0 H GLY A 134 2.729 -2.690 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.945 -1.834 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.575 -3.466 3.902 1.00 0.00 H new ATOM 122 N ASP A 135 3.899 -2.981 1.190 1.00 0.00 N ATOM 123 CA ASP A 135 3.960 -3.009 -0.268 1.00 0.00 C ATOM 124 C ASP A 135 4.198 -1.611 -0.827 1.00 0.00 C ATOM 125 O ASP A 135 3.929 -0.611 -0.162 1.00 0.00 O ATOM 126 CB ASP A 135 2.665 -3.588 -0.841 1.00 0.00 C ATOM 127 CG ASP A 135 2.756 -5.084 -1.074 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.035 -5.820 -0.104 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.548 -5.519 -2.226 1.00 0.00 O ATOM 0 H ASP A 135 2.957 -3.053 1.575 1.00 0.00 H new ATOM 0 HA ASP A 135 4.795 -3.645 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.842 -3.379 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.432 -3.090 -1.782 1.00 0.00 H new ATOM 134 N GLN A 136 4.703 -1.548 -2.056 1.00 0.00 N ATOM 135 CA GLN A 136 4.977 -0.271 -2.704 1.00 0.00 C ATOM 136 C GLN A 136 3.877 0.082 -3.702 1.00 0.00 C ATOM 137 O GLN A 136 3.531 -0.719 -4.570 1.00 0.00 O ATOM 138 CB GLN A 136 6.334 -0.312 -3.410 1.00 0.00 C ATOM 139 CG GLN A 136 7.270 0.811 -2.992 1.00 0.00 C ATOM 140 CD GLN A 136 8.570 0.808 -3.772 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.601 0.347 -3.282 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.528 1.326 -4.995 1.00 0.00 N ATOM 0 H GLN A 136 4.930 -2.366 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 136 5.002 0.500 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.813 -1.269 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.176 -0.260 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.768 1.768 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.489 0.719 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.652 1.697 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.372 1.352 -5.567 1.00 0.00 H new ATOM 151 N VAL A 137 3.338 1.289 -3.573 1.00 0.00 N ATOM 152 CA VAL A 137 2.279 1.756 -4.459 1.00 0.00 C ATOM 153 C VAL A 137 2.463 3.233 -4.792 1.00 0.00 C ATOM 154 O VAL A 137 2.756 4.042 -3.912 1.00 0.00 O ATOM 155 CB VAL A 137 0.888 1.557 -3.824 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.512 0.083 -3.804 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.853 2.145 -2.422 1.00 0.00 C ATOM 0 H VAL A 137 3.618 1.963 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 137 2.342 1.164 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 137 0.153 2.084 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.473 -0.035 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.492 -0.301 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.247 -0.472 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.136 1.995 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.599 1.650 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.071 3.212 -2.469 1.00 0.00 H new ATOM 167 N ARG A 138 2.291 3.579 -6.064 1.00 0.00 N ATOM 168 CA ARG A 138 2.442 4.962 -6.500 1.00 0.00 C ATOM 169 C ARG A 138 1.191 5.772 -6.180 1.00 0.00 C ATOM 170 O ARG A 138 0.126 5.214 -5.916 1.00 0.00 O ATOM 171 CB ARG A 138 2.734 5.027 -8.003 1.00 0.00 C ATOM 172 CG ARG A 138 4.000 5.802 -8.348 1.00 0.00 C ATOM 173 CD ARG A 138 4.527 5.430 -9.727 1.00 0.00 C ATOM 174 NE ARG A 138 4.708 3.987 -9.878 1.00 0.00 N ATOM 175 CZ ARG A 138 3.820 3.177 -10.454 1.00 0.00 C ATOM 176 NH1 ARG A 138 2.670 3.656 -10.917 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.077 1.880 -10.561 1.00 0.00 N ATOM 0 H ARG A 138 2.048 2.924 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 138 3.284 5.392 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.823 4.012 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.886 5.489 -8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.793 6.872 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.766 5.601 -7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.834 5.789 -10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.478 5.934 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 138 5.569 3.574 -9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.461 4.651 -10.833 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.996 3.029 -11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 138 4.954 1.503 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 138 3.397 1.260 -11.002 1.00 0.00 H new ATOM 191 N VAL A 139 1.334 7.089 -6.203 1.00 0.00 N ATOM 192 CA VAL A 139 0.221 7.990 -5.913 1.00 0.00 C ATOM 193 C VAL A 139 -0.689 8.143 -7.130 1.00 0.00 C ATOM 194 O VAL A 139 -0.339 7.724 -8.233 1.00 0.00 O ATOM 195 CB VAL A 139 0.731 9.380 -5.482 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.384 10.191 -4.838 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.913 9.247 -4.532 1.00 0.00 C ATOM 0 H VAL A 139 2.212 7.562 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.347 7.550 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 139 1.065 9.910 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.000 11.167 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.197 10.322 -5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.755 9.665 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.258 10.239 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.606 8.693 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.722 8.714 -5.031 1.00 0.00 H new ATOM 207 N VAL A 140 -1.863 8.732 -6.920 1.00 0.00 N ATOM 208 CA VAL A 140 -2.825 8.921 -8.001 1.00 0.00 C ATOM 209 C VAL A 140 -2.465 10.121 -8.883 1.00 0.00 C ATOM 210 O VAL A 140 -2.219 9.961 -10.079 1.00 0.00 O ATOM 211 CB VAL A 140 -4.265 9.089 -7.456 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.318 10.102 -6.318 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.226 9.483 -8.571 1.00 0.00 C ATOM 0 H VAL A 140 -2.170 9.086 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.783 8.020 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.578 8.124 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.344 10.194 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.678 9.766 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.970 11.071 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.231 9.595 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.906 10.428 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.230 8.709 -9.338 1.00 0.00 H new ATOM 223 N SER A 141 -2.443 11.318 -8.303 1.00 0.00 N ATOM 224 CA SER A 141 -2.120 12.521 -9.064 1.00 0.00 C ATOM 225 C SER A 141 -1.685 13.658 -8.142 1.00 0.00 C ATOM 226 O SER A 141 -1.366 13.434 -6.974 1.00 0.00 O ATOM 227 CB SER A 141 -3.327 12.954 -9.900 1.00 0.00 C ATOM 228 OG SER A 141 -2.961 13.167 -11.253 1.00 0.00 O ATOM 0 H SER A 141 -2.643 11.480 -7.316 1.00 0.00 H new ATOM 0 HA SER A 141 -1.288 12.288 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.103 12.191 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.750 13.869 -9.486 1.00 0.00 H new ATOM 0 HG SER A 141 -3.750 13.441 -11.766 1.00 0.00 H new ATOM 234 N GLY A 142 -1.674 14.875 -8.678 1.00 0.00 N ATOM 235 CA GLY A 142 -1.278 16.030 -7.893 1.00 0.00 C ATOM 236 C GLY A 142 0.229 16.154 -7.768 1.00 0.00 C ATOM 237 O GLY A 142 0.968 15.518 -8.518 1.00 0.00 O ATOM 0 H GLY A 142 -1.933 15.082 -9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.677 16.934 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.718 15.958 -6.898 1.00 0.00 H new ATOM 241 N PRO A 143 0.717 16.969 -6.818 1.00 0.00 N ATOM 242 CA PRO A 143 2.156 17.156 -6.607 1.00 0.00 C ATOM 243 C PRO A 143 2.847 15.865 -6.178 1.00 0.00 C ATOM 244 O PRO A 143 4.071 15.755 -6.240 1.00 0.00 O ATOM 245 CB PRO A 143 2.228 18.201 -5.489 1.00 0.00 C ATOM 246 CG PRO A 143 0.904 18.128 -4.806 1.00 0.00 C ATOM 247 CD PRO A 143 -0.087 17.760 -5.872 1.00 0.00 C ATOM 0 HA PRO A 143 2.664 17.463 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 143 3.042 17.983 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.410 19.198 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.916 17.384 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.648 19.083 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -0.918 17.182 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.515 18.643 -6.347 1.00 0.00 H new ATOM 255 N PHE A 144 2.053 14.891 -5.743 1.00 0.00 N ATOM 256 CA PHE A 144 2.587 13.606 -5.304 1.00 0.00 C ATOM 257 C PHE A 144 2.419 12.541 -6.384 1.00 0.00 C ATOM 258 O PHE A 144 2.533 11.351 -6.102 1.00 0.00 O ATOM 259 CB PHE A 144 1.880 13.140 -4.026 1.00 0.00 C ATOM 260 CG PHE A 144 1.492 14.254 -3.096 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.428 14.837 -2.258 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.185 14.716 -3.059 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.069 15.859 -1.400 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.180 15.736 -2.203 1.00 0.00 C ATOM 265 CZ PHE A 144 0.763 16.310 -1.373 1.00 0.00 C ATOM 0 H PHE A 144 1.038 14.967 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 144 3.650 13.743 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.984 12.584 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.534 12.449 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.450 14.489 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.556 14.273 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.808 16.305 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.202 16.085 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.480 17.110 -0.704 1.00 0.00 H new ATOM 275 N ALA A 145 2.143 12.965 -7.615 1.00 0.00 N ATOM 276 CA ALA A 145 1.949 12.025 -8.719 1.00 0.00 C ATOM 277 C ALA A 145 3.270 11.490 -9.267 1.00 0.00 C ATOM 278 O ALA A 145 3.409 11.277 -10.471 1.00 0.00 O ATOM 279 CB ALA A 145 1.146 12.682 -9.830 1.00 0.00 C ATOM 0 H ALA A 145 2.049 13.947 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 145 1.396 11.172 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.007 11.974 -10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.173 12.986 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.681 13.558 -10.197 1.00 0.00 H new ATOM 285 N ASP A 146 4.229 11.258 -8.380 1.00 0.00 N ATOM 286 CA ASP A 146 5.527 10.729 -8.783 1.00 0.00 C ATOM 287 C ASP A 146 6.258 10.127 -7.592 1.00 0.00 C ATOM 288 O ASP A 146 7.484 10.172 -7.512 1.00 0.00 O ATOM 289 CB ASP A 146 6.377 11.824 -9.430 1.00 0.00 C ATOM 290 CG ASP A 146 7.148 11.322 -10.636 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.676 10.364 -11.283 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.220 11.887 -10.933 1.00 0.00 O ATOM 0 H ASP A 146 4.134 11.427 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 146 5.358 9.941 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.732 12.649 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.077 12.219 -8.694 1.00 0.00 H new ATOM 297 N PHE A 147 5.491 9.565 -6.671 1.00 0.00 N ATOM 298 CA PHE A 147 6.053 8.949 -5.477 1.00 0.00 C ATOM 299 C PHE A 147 5.301 7.672 -5.128 1.00 0.00 C ATOM 300 O PHE A 147 4.251 7.383 -5.701 1.00 0.00 O ATOM 301 CB PHE A 147 5.998 9.922 -4.296 1.00 0.00 C ATOM 302 CG PHE A 147 6.599 11.267 -4.593 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.886 11.370 -5.094 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.875 12.427 -4.368 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.441 12.607 -5.367 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.425 13.667 -4.639 1.00 0.00 C ATOM 307 CZ PHE A 147 7.709 13.757 -5.139 1.00 0.00 C ATOM 0 H PHE A 147 4.473 9.522 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 147 7.094 8.699 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.959 10.057 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.520 9.480 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.463 10.475 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.870 12.362 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.445 12.674 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.851 14.564 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.140 14.724 -5.351 1.00 0.00 H new ATOM 317 N THR A 148 5.841 6.911 -4.185 1.00 0.00 N ATOM 318 CA THR A 148 5.214 5.665 -3.763 1.00 0.00 C ATOM 319 C THR A 148 4.826 5.726 -2.290 1.00 0.00 C ATOM 320 O THR A 148 5.039 6.739 -1.624 1.00 0.00 O ATOM 321 CB THR A 148 6.155 4.484 -4.006 1.00 0.00 C ATOM 322 OG1 THR A 148 7.488 4.830 -3.678 1.00 0.00 O ATOM 323 CG2 THR A 148 6.146 3.997 -5.439 1.00 0.00 C ATOM 0 H THR A 148 6.710 7.134 -3.699 1.00 0.00 H new ATOM 0 HA THR A 148 4.310 5.525 -4.355 1.00 0.00 H new ATOM 0 HB THR A 148 5.786 3.683 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.074 4.061 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.835 3.158 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.140 3.676 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.457 4.806 -6.100 1.00 0.00 H new ATOM 331 N GLY A 149 4.255 4.637 -1.788 1.00 0.00 N ATOM 332 CA GLY A 149 3.847 4.590 -0.398 1.00 0.00 C ATOM 333 C GLY A 149 3.901 3.188 0.178 1.00 0.00 C ATOM 334 O GLY A 149 3.513 2.224 -0.482 1.00 0.00 O ATOM 0 H GLY A 149 4.068 3.787 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.491 5.245 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.832 4.977 -0.308 1.00 0.00 H new ATOM 338 N THR A 150 4.381 3.078 1.412 1.00 0.00 N ATOM 339 CA THR A 150 4.482 1.788 2.080 1.00 0.00 C ATOM 340 C THR A 150 3.292 1.562 3.007 1.00 0.00 C ATOM 341 O THR A 150 3.188 2.187 4.062 1.00 0.00 O ATOM 342 CB THR A 150 5.786 1.704 2.877 1.00 0.00 C ATOM 343 OG1 THR A 150 6.856 2.280 2.150 1.00 0.00 O ATOM 344 CG2 THR A 150 6.182 0.286 3.229 1.00 0.00 C ATOM 0 H THR A 150 4.706 3.868 1.969 1.00 0.00 H new ATOM 0 HA THR A 150 4.479 1.010 1.317 1.00 0.00 H new ATOM 0 HB THR A 150 5.596 2.251 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.680 2.218 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.115 0.298 3.793 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.398 -0.171 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.319 -0.291 2.315 1.00 0.00 H new ATOM 352 N VAL A 151 2.393 0.668 2.604 1.00 0.00 N ATOM 353 CA VAL A 151 1.208 0.363 3.397 1.00 0.00 C ATOM 354 C VAL A 151 1.585 -0.066 4.811 1.00 0.00 C ATOM 355 O VAL A 151 2.227 -1.098 5.009 1.00 0.00 O ATOM 356 CB VAL A 151 0.365 -0.750 2.745 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.949 -0.931 3.488 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.118 -0.444 1.273 1.00 0.00 C ATOM 0 H VAL A 151 2.464 0.143 1.733 1.00 0.00 H new ATOM 0 HA VAL A 151 0.617 1.278 3.443 1.00 0.00 H new ATOM 0 HB VAL A 151 0.922 -1.685 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.530 -1.721 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.747 -1.203 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.514 0.001 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.479 -1.242 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.416 0.502 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.072 -0.373 0.751 1.00 0.00 H new ATOM 368 N THR A 152 1.181 0.735 5.792 1.00 0.00 N ATOM 369 CA THR A 152 1.475 0.442 7.190 1.00 0.00 C ATOM 370 C THR A 152 0.239 -0.099 7.904 1.00 0.00 C ATOM 371 O THR A 152 0.345 -0.933 8.802 1.00 0.00 O ATOM 372 CB THR A 152 1.982 1.697 7.903 1.00 0.00 C ATOM 373 OG1 THR A 152 2.453 2.650 6.966 1.00 0.00 O ATOM 374 CG2 THR A 152 3.105 1.418 8.878 1.00 0.00 C ATOM 0 H THR A 152 0.649 1.593 5.644 1.00 0.00 H new ATOM 0 HA THR A 152 2.253 -0.321 7.218 1.00 0.00 H new ATOM 0 HB THR A 152 1.126 2.080 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.772 3.446 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.418 2.350 9.349 1.00 0.00 H new ATOM 0 HG22 THR A 152 2.758 0.723 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.949 0.980 8.345 1.00 0.00 H new ATOM 382 N GLU A 153 -0.931 0.382 7.495 1.00 0.00 N ATOM 383 CA GLU A 153 -2.186 -0.053 8.096 1.00 0.00 C ATOM 384 C GLU A 153 -3.296 -0.118 7.049 1.00 0.00 C ATOM 385 O GLU A 153 -3.218 0.532 6.007 1.00 0.00 O ATOM 386 CB GLU A 153 -2.589 0.894 9.230 1.00 0.00 C ATOM 387 CG GLU A 153 -2.486 0.265 10.610 1.00 0.00 C ATOM 388 CD GLU A 153 -3.843 -0.019 11.225 1.00 0.00 C ATOM 389 OE1 GLU A 153 -4.486 0.934 11.711 1.00 0.00 O ATOM 390 OE2 GLU A 153 -4.262 -1.197 11.220 1.00 0.00 O ATOM 0 H GLU A 153 -1.036 1.072 6.751 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.038 -1.053 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.955 1.780 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.614 1.228 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.921 -0.665 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.925 0.930 11.267 1.00 0.00 H new ATOM 397 N ILE A 154 -4.327 -0.906 7.335 1.00 0.00 N ATOM 398 CA ILE A 154 -5.451 -1.055 6.419 1.00 0.00 C ATOM 399 C ILE A 154 -6.773 -1.127 7.177 1.00 0.00 C ATOM 400 O ILE A 154 -6.918 -1.906 8.119 1.00 0.00 O ATOM 401 CB ILE A 154 -5.303 -2.317 5.547 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.910 -2.367 4.915 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.380 -2.348 4.473 1.00 0.00 C ATOM 404 CD1 ILE A 154 -2.898 -3.128 5.742 1.00 0.00 C ATOM 0 H ILE A 154 -4.407 -1.451 8.194 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.452 -0.176 5.775 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.425 -3.195 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.983 -2.829 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.552 -1.349 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.262 -3.245 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.363 -2.355 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.287 -1.466 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.934 -3.122 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -2.796 -2.654 6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.234 -4.157 5.872 1.00 0.00 H new ATOM 416 N ASN A 155 -7.732 -0.308 6.760 1.00 0.00 N ATOM 417 CA ASN A 155 -9.043 -0.277 7.400 1.00 0.00 C ATOM 418 C ASN A 155 -10.064 -1.068 6.583 1.00 0.00 C ATOM 419 O ASN A 155 -10.614 -0.560 5.605 1.00 0.00 O ATOM 420 CB ASN A 155 -9.516 1.168 7.565 1.00 0.00 C ATOM 421 CG ASN A 155 -8.832 1.872 8.720 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.257 2.948 8.552 1.00 0.00 O ATOM 423 ND2 ASN A 155 -8.892 1.267 9.900 1.00 0.00 N ATOM 0 H ASN A 155 -7.627 0.343 5.982 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.953 -0.738 8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.324 1.718 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.594 1.178 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -8.450 1.693 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.380 0.376 9.992 1.00 0.00 H new ATOM 430 N PRO A 156 -10.335 -2.327 6.973 1.00 0.00 N ATOM 431 CA PRO A 156 -11.295 -3.181 6.268 1.00 0.00 C ATOM 432 C PRO A 156 -12.734 -2.718 6.462 1.00 0.00 C ATOM 433 O PRO A 156 -13.522 -2.688 5.518 1.00 0.00 O ATOM 434 CB PRO A 156 -11.084 -4.556 6.904 1.00 0.00 C ATOM 435 CG PRO A 156 -10.554 -4.265 8.264 1.00 0.00 C ATOM 436 CD PRO A 156 -9.725 -3.017 8.128 1.00 0.00 C ATOM 0 HA PRO A 156 -11.136 -3.168 5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.017 -5.117 6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.382 -5.157 6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.366 -4.118 8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.952 -5.095 8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.767 -2.406 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.675 -3.249 7.949 1.00 0.00 H new ATOM 444 N GLU A 157 -13.073 -2.359 7.697 1.00 0.00 N ATOM 445 CA GLU A 157 -14.420 -1.899 8.016 1.00 0.00 C ATOM 446 C GLU A 157 -14.616 -0.449 7.584 1.00 0.00 C ATOM 447 O GLU A 157 -15.684 -0.075 7.098 1.00 0.00 O ATOM 448 CB GLU A 157 -14.687 -2.039 9.516 1.00 0.00 C ATOM 449 CG GLU A 157 -15.438 -3.309 9.885 1.00 0.00 C ATOM 450 CD GLU A 157 -15.403 -3.597 11.371 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.437 -4.247 11.828 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.339 -3.176 12.082 1.00 0.00 O ATOM 0 H GLU A 157 -12.434 -2.378 8.492 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.129 -2.520 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.736 -2.021 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.260 -1.176 9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.475 -3.221 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -15.006 -4.152 9.345 1.00 0.00 H new ATOM 459 N ARG A 158 -13.581 0.363 7.766 1.00 0.00 N ATOM 460 CA ARG A 158 -13.640 1.773 7.397 1.00 0.00 C ATOM 461 C ARG A 158 -13.421 1.952 5.896 1.00 0.00 C ATOM 462 O ARG A 158 -14.008 2.834 5.273 1.00 0.00 O ATOM 463 CB ARG A 158 -12.595 2.571 8.181 1.00 0.00 C ATOM 464 CG ARG A 158 -13.187 3.703 9.004 1.00 0.00 C ATOM 465 CD ARG A 158 -13.099 5.031 8.269 1.00 0.00 C ATOM 466 NE ARG A 158 -14.276 5.865 8.507 1.00 0.00 N ATOM 467 CZ ARG A 158 -14.310 7.178 8.289 1.00 0.00 C ATOM 468 NH1 ARG A 158 -13.238 7.810 7.829 1.00 0.00 N ATOM 469 NH2 ARG A 158 -15.420 7.860 8.532 1.00 0.00 N ATOM 0 H ARG A 158 -12.690 0.069 8.167 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.632 2.149 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.055 1.895 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.866 2.983 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.229 3.481 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -12.660 3.777 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -12.205 5.565 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -12.994 4.848 7.200 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.120 5.415 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.381 7.290 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -13.271 8.816 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.247 7.379 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.447 8.866 8.365 1.00 0.00 H new ATOM 483 N GLY A 159 -12.569 1.107 5.324 1.00 0.00 N ATOM 484 CA GLY A 159 -12.287 1.188 3.903 1.00 0.00 C ATOM 485 C GLY A 159 -11.280 2.271 3.573 1.00 0.00 C ATOM 486 O GLY A 159 -11.617 3.267 2.932 1.00 0.00 O ATOM 0 H GLY A 159 -12.069 0.368 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.909 0.227 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.214 1.381 3.362 1.00 0.00 H new ATOM 490 N LYS A 160 -10.041 2.077 4.011 1.00 0.00 N ATOM 491 CA LYS A 160 -8.980 3.046 3.759 1.00 0.00 C ATOM 492 C LYS A 160 -7.617 2.363 3.717 1.00 0.00 C ATOM 493 O LYS A 160 -7.500 1.171 4.003 1.00 0.00 O ATOM 494 CB LYS A 160 -8.985 4.132 4.838 1.00 0.00 C ATOM 495 CG LYS A 160 -10.191 5.054 4.769 1.00 0.00 C ATOM 496 CD LYS A 160 -10.236 6.000 5.957 1.00 0.00 C ATOM 497 CE LYS A 160 -10.891 7.322 5.592 1.00 0.00 C ATOM 498 NZ LYS A 160 -10.170 8.015 4.490 1.00 0.00 N ATOM 0 H LYS A 160 -9.746 1.258 4.542 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.166 3.506 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -8.957 3.658 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.077 4.728 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.157 5.630 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.104 4.459 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -10.786 5.534 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.223 6.182 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.924 7.145 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.919 7.968 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -10.295 9.043 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -9.157 7.783 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -10.553 7.704 3.575 1.00 0.00 H new ATOM 512 N VAL A 161 -6.589 3.126 3.359 1.00 0.00 N ATOM 513 CA VAL A 161 -5.234 2.594 3.281 1.00 0.00 C ATOM 514 C VAL A 161 -4.204 3.672 3.600 1.00 0.00 C ATOM 515 O VAL A 161 -4.159 4.715 2.946 1.00 0.00 O ATOM 516 CB VAL A 161 -4.937 2.011 1.887 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.609 0.658 1.719 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.383 2.976 0.798 1.00 0.00 C ATOM 0 H VAL A 161 -6.669 4.114 3.119 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.164 1.796 4.020 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.860 1.869 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.387 0.262 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.235 -0.031 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.687 0.771 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -5.165 2.547 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.455 3.153 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.849 3.920 0.907 1.00 0.00 H new ATOM 528 N LYS A 162 -3.379 3.417 4.611 1.00 0.00 N ATOM 529 CA LYS A 162 -2.350 4.366 5.016 1.00 0.00 C ATOM 530 C LYS A 162 -0.971 3.907 4.554 1.00 0.00 C ATOM 531 O LYS A 162 -0.617 2.737 4.692 1.00 0.00 O ATOM 532 CB LYS A 162 -2.360 4.543 6.535 1.00 0.00 C ATOM 533 CG LYS A 162 -1.319 5.529 7.040 1.00 0.00 C ATOM 534 CD LYS A 162 -1.261 5.550 8.559 1.00 0.00 C ATOM 535 CE LYS A 162 -2.548 6.095 9.156 1.00 0.00 C ATOM 536 NZ LYS A 162 -2.360 6.552 10.561 1.00 0.00 N ATOM 0 H LYS A 162 -3.404 2.561 5.164 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.569 5.324 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.349 4.880 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -2.190 3.575 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.340 5.262 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.553 6.527 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.084 4.541 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.420 6.162 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -2.906 6.926 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -3.317 5.324 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -3.261 6.916 10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -2.043 5.753 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.644 7.306 10.588 1.00 0.00 H new ATOM 550 N VAL A 163 -0.195 4.838 4.007 1.00 0.00 N ATOM 551 CA VAL A 163 1.145 4.528 3.525 1.00 0.00 C ATOM 552 C VAL A 163 2.130 5.635 3.890 1.00 0.00 C ATOM 553 O VAL A 163 1.730 6.748 4.230 1.00 0.00 O ATOM 554 CB VAL A 163 1.163 4.330 1.997 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.259 3.174 1.594 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.752 5.609 1.281 1.00 0.00 C ATOM 0 H VAL A 163 -0.472 5.812 3.887 1.00 0.00 H new ATOM 0 HA VAL A 163 1.446 3.599 4.009 1.00 0.00 H new ATOM 0 HB VAL A 163 2.183 4.087 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.286 3.051 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.605 2.258 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.763 3.384 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.772 5.445 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.256 5.889 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.445 6.409 1.539 1.00 0.00 H new ATOM 566 N MET A 164 3.419 5.322 3.812 1.00 0.00 N ATOM 567 CA MET A 164 4.460 6.294 4.129 1.00 0.00 C ATOM 568 C MET A 164 5.090 6.842 2.852 1.00 0.00 C ATOM 569 O MET A 164 5.780 6.122 2.129 1.00 0.00 O ATOM 570 CB MET A 164 5.533 5.656 5.016 1.00 0.00 C ATOM 571 CG MET A 164 6.357 4.588 4.314 1.00 0.00 C ATOM 572 SD MET A 164 8.000 5.169 3.848 1.00 0.00 S ATOM 573 CE MET A 164 8.991 4.472 5.167 1.00 0.00 C ATOM 0 H MET A 164 3.768 4.405 3.533 1.00 0.00 H new ATOM 0 HA MET A 164 4.003 7.121 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.202 6.437 5.379 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.053 5.215 5.890 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.455 3.722 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.827 4.255 3.421 1.00 0.00 H new ATOM 0 HE1 MET A 164 10.036 4.744 5.020 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.647 4.861 6.125 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.894 3.386 5.160 1.00 0.00 H new ATOM 583 N VAL A 165 4.843 8.118 2.577 1.00 0.00 N ATOM 584 CA VAL A 165 5.383 8.761 1.384 1.00 0.00 C ATOM 585 C VAL A 165 6.590 9.627 1.724 1.00 0.00 C ATOM 586 O VAL A 165 6.863 9.898 2.893 1.00 0.00 O ATOM 587 CB VAL A 165 4.321 9.633 0.687 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.197 8.770 0.135 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.777 10.680 1.647 1.00 0.00 C ATOM 0 H VAL A 165 4.273 8.727 3.163 1.00 0.00 H new ATOM 0 HA VAL A 165 5.690 7.964 0.707 1.00 0.00 H new ATOM 0 HB VAL A 165 4.794 10.149 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.457 9.405 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.603 8.063 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.724 8.223 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 165 3.028 11.287 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.321 10.185 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.591 11.319 1.988 1.00 0.00 H new ATOM 599 N THR A 166 7.314 10.055 0.694 1.00 0.00 N ATOM 600 CA THR A 166 8.494 10.890 0.884 1.00 0.00 C ATOM 601 C THR A 166 8.454 12.106 -0.038 1.00 0.00 C ATOM 602 O THR A 166 8.323 11.972 -1.255 1.00 0.00 O ATOM 603 CB THR A 166 9.765 10.082 0.623 1.00 0.00 C ATOM 604 OG1 THR A 166 9.605 8.743 1.059 1.00 0.00 O ATOM 605 CG2 THR A 166 10.986 10.648 1.313 1.00 0.00 C ATOM 0 H THR A 166 7.104 9.837 -0.280 1.00 0.00 H new ATOM 0 HA THR A 166 8.499 11.238 1.917 1.00 0.00 H new ATOM 0 HB THR A 166 9.923 10.130 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.428 8.241 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.853 10.027 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 166 11.165 11.664 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.822 10.662 2.390 1.00 0.00 H new ATOM 613 N ILE A 167 8.570 13.291 0.551 1.00 0.00 N ATOM 614 CA ILE A 167 8.550 14.531 -0.215 1.00 0.00 C ATOM 615 C ILE A 167 9.403 15.602 0.452 1.00 0.00 C ATOM 616 O ILE A 167 9.387 15.751 1.674 1.00 0.00 O ATOM 617 CB ILE A 167 7.114 15.064 -0.388 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.384 15.087 0.959 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.352 14.219 -1.397 1.00 0.00 C ATOM 620 CD1 ILE A 167 6.191 16.479 1.519 1.00 0.00 C ATOM 0 H ILE A 167 8.679 13.419 1.557 1.00 0.00 H new ATOM 0 HA ILE A 167 8.963 14.302 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 167 7.167 16.085 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.409 14.613 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.946 14.490 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.340 14.609 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.862 14.254 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.307 13.187 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 167 5.668 16.418 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.163 16.949 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 167 5.603 17.074 0.820 1.00 0.00 H new ATOM 632 N PHE A 168 10.150 16.346 -0.357 1.00 0.00 N ATOM 633 CA PHE A 168 11.012 17.404 0.155 1.00 0.00 C ATOM 634 C PHE A 168 12.085 16.830 1.075 1.00 0.00 C ATOM 635 O PHE A 168 12.538 17.495 2.008 1.00 0.00 O ATOM 636 CB PHE A 168 10.185 18.450 0.904 1.00 0.00 C ATOM 637 CG PHE A 168 9.811 19.636 0.061 1.00 0.00 C ATOM 638 CD1 PHE A 168 8.952 19.493 -1.017 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.319 20.893 0.347 1.00 0.00 C ATOM 640 CE1 PHE A 168 8.606 20.582 -1.795 1.00 0.00 C ATOM 641 CE2 PHE A 168 9.977 21.986 -0.427 1.00 0.00 C ATOM 642 CZ PHE A 168 9.119 21.830 -1.500 1.00 0.00 C ATOM 0 H PHE A 168 10.175 16.235 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 168 11.502 17.882 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.276 17.981 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 168 10.749 18.794 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 168 8.548 18.519 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 168 10.990 21.020 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 168 7.935 20.457 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 168 10.379 22.961 -0.194 1.00 0.00 H new ATOM 0 HZ PHE A 168 8.850 22.682 -2.106 1.00 0.00 H new ATOM 652 N GLY A 169 12.488 15.592 0.806 1.00 0.00 N ATOM 653 CA GLY A 169 13.504 14.949 1.620 1.00 0.00 C ATOM 654 C GLY A 169 13.047 14.722 3.047 1.00 0.00 C ATOM 655 O GLY A 169 13.805 14.943 3.991 1.00 0.00 O ATOM 0 H GLY A 169 12.129 15.023 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.773 13.993 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.404 15.563 1.624 1.00 0.00 H new ATOM 659 N ARG A 170 11.803 14.277 3.204 1.00 0.00 N ATOM 660 CA ARG A 170 11.246 14.020 4.527 1.00 0.00 C ATOM 661 C ARG A 170 10.089 13.030 4.447 1.00 0.00 C ATOM 662 O ARG A 170 9.249 13.113 3.551 1.00 0.00 O ATOM 663 CB ARG A 170 10.769 15.327 5.164 1.00 0.00 C ATOM 664 CG ARG A 170 11.891 16.151 5.776 1.00 0.00 C ATOM 665 CD ARG A 170 11.348 17.351 6.535 1.00 0.00 C ATOM 666 NE ARG A 170 10.618 16.953 7.736 1.00 0.00 N ATOM 667 CZ ARG A 170 9.751 17.738 8.371 1.00 0.00 C ATOM 668 NH1 ARG A 170 9.507 18.966 7.926 1.00 0.00 N ATOM 669 NH2 ARG A 170 9.129 17.299 9.457 1.00 0.00 N ATOM 0 H ARG A 170 11.163 14.087 2.432 1.00 0.00 H new ATOM 0 HA ARG A 170 12.031 13.586 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.261 15.926 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.035 15.098 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.477 15.527 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 170 12.565 16.491 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 170 12.172 18.008 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 170 10.689 17.925 5.883 1.00 0.00 H new ATOM 0 HE ARG A 170 10.782 16.018 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 170 9.985 19.311 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 170 8.842 19.563 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 170 9.315 16.359 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 170 8.465 17.902 9.943 1.00 0.00 H new ATOM 683 N GLU A 171 10.051 12.097 5.392 1.00 0.00 N ATOM 684 CA GLU A 171 8.993 11.091 5.430 1.00 0.00 C ATOM 685 C GLU A 171 7.735 11.655 6.081 1.00 0.00 C ATOM 686 O GLU A 171 7.783 12.187 7.190 1.00 0.00 O ATOM 687 CB GLU A 171 9.466 9.852 6.193 1.00 0.00 C ATOM 688 CG GLU A 171 10.713 9.213 5.604 1.00 0.00 C ATOM 689 CD GLU A 171 11.948 9.456 6.450 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.949 10.429 7.234 1.00 0.00 O ATOM 691 OE2 GLU A 171 12.915 8.673 6.330 1.00 0.00 O ATOM 0 H GLU A 171 10.739 12.015 6.141 1.00 0.00 H new ATOM 0 HA GLU A 171 8.755 10.807 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.664 10.127 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.663 9.116 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 171 10.553 8.140 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.880 9.608 4.602 1.00 0.00 H new ATOM 698 N THR A 172 6.610 11.536 5.386 1.00 0.00 N ATOM 699 CA THR A 172 5.339 12.037 5.896 1.00 0.00 C ATOM 700 C THR A 172 4.222 11.016 5.684 1.00 0.00 C ATOM 701 O THR A 172 3.867 10.705 4.546 1.00 0.00 O ATOM 702 CB THR A 172 4.976 13.354 5.207 1.00 0.00 C ATOM 703 OG1 THR A 172 5.425 13.358 3.864 1.00 0.00 O ATOM 704 CG2 THR A 172 5.564 14.569 5.890 1.00 0.00 C ATOM 0 H THR A 172 6.552 11.097 4.467 1.00 0.00 H new ATOM 0 HA THR A 172 5.449 12.209 6.967 1.00 0.00 H new ATOM 0 HB THR A 172 3.889 13.417 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.182 14.208 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 172 5.268 15.469 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 172 5.197 14.623 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 172 6.651 14.492 5.897 1.00 0.00 H new ATOM 712 N PRO A 173 3.647 10.479 6.776 1.00 0.00 N ATOM 713 CA PRO A 173 2.566 9.493 6.692 1.00 0.00 C ATOM 714 C PRO A 173 1.256 10.117 6.219 1.00 0.00 C ATOM 715 O PRO A 173 0.660 10.936 6.918 1.00 0.00 O ATOM 716 CB PRO A 173 2.429 8.991 8.129 1.00 0.00 C ATOM 717 CG PRO A 173 2.915 10.120 8.971 1.00 0.00 C ATOM 718 CD PRO A 173 4.002 10.790 8.174 1.00 0.00 C ATOM 0 HA PRO A 173 2.786 8.705 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.395 8.738 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.022 8.091 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.107 10.817 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.297 9.759 9.926 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.026 11.865 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 173 4.987 10.402 8.434 1.00 0.00 H new ATOM 726 N VAL A 174 0.816 9.726 5.027 1.00 0.00 N ATOM 727 CA VAL A 174 -0.420 10.250 4.461 1.00 0.00 C ATOM 728 C VAL A 174 -1.391 9.125 4.116 1.00 0.00 C ATOM 729 O VAL A 174 -0.998 8.102 3.557 1.00 0.00 O ATOM 730 CB VAL A 174 -0.147 11.088 3.195 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.506 10.236 2.117 1.00 0.00 C ATOM 732 CG2 VAL A 174 -1.433 11.719 2.680 1.00 0.00 C ATOM 0 H VAL A 174 1.297 9.049 4.436 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.869 10.889 5.221 1.00 0.00 H new ATOM 0 HB VAL A 174 0.543 11.890 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.690 10.846 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 174 1.452 9.841 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -0.155 9.409 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -1.218 12.306 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -2.150 10.935 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -1.853 12.368 3.448 1.00 0.00 H new ATOM 742 N GLU A 175 -2.663 9.324 4.451 1.00 0.00 N ATOM 743 CA GLU A 175 -3.690 8.330 4.172 1.00 0.00 C ATOM 744 C GLU A 175 -4.144 8.418 2.719 1.00 0.00 C ATOM 745 O GLU A 175 -4.164 9.499 2.129 1.00 0.00 O ATOM 746 CB GLU A 175 -4.886 8.528 5.107 1.00 0.00 C ATOM 747 CG GLU A 175 -5.934 7.431 4.997 1.00 0.00 C ATOM 748 CD GLU A 175 -5.840 6.420 6.123 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.277 6.741 7.248 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.329 5.307 5.879 1.00 0.00 O ATOM 0 H GLU A 175 -3.005 10.165 4.916 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.265 7.341 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -4.528 8.575 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.353 9.488 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -6.927 7.881 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.819 6.918 4.042 1.00 0.00 H new ATOM 757 N LEU A 176 -4.499 7.275 2.141 1.00 0.00 N ATOM 758 CA LEU A 176 -4.946 7.230 0.751 1.00 0.00 C ATOM 759 C LEU A 176 -6.143 6.312 0.586 1.00 0.00 C ATOM 760 O LEU A 176 -6.776 5.903 1.559 1.00 0.00 O ATOM 761 CB LEU A 176 -3.829 6.728 -0.170 1.00 0.00 C ATOM 762 CG LEU A 176 -2.438 6.613 0.463 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.199 5.201 0.977 1.00 0.00 C ATOM 764 CD2 LEU A 176 -1.363 7.008 -0.541 1.00 0.00 C ATOM 0 H LEU A 176 -4.486 6.370 2.611 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.224 8.248 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.114 5.748 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.762 7.399 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.386 7.297 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.206 5.139 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.950 4.955 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.269 4.496 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.381 6.921 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.414 6.348 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -1.523 8.038 -0.860 1.00 0.00 H new ATOM 776 N ASP A 177 -6.417 5.971 -0.667 1.00 0.00 N ATOM 777 CA ASP A 177 -7.504 5.075 -0.994 1.00 0.00 C ATOM 778 C ASP A 177 -7.203 4.348 -2.299 1.00 0.00 C ATOM 779 O ASP A 177 -6.434 4.832 -3.127 1.00 0.00 O ATOM 780 CB ASP A 177 -8.830 5.831 -1.105 1.00 0.00 C ATOM 781 CG ASP A 177 -9.000 6.879 -0.022 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.170 6.493 1.155 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.963 8.083 -0.349 1.00 0.00 O ATOM 0 H ASP A 177 -5.893 6.308 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.599 4.346 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.889 6.311 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.654 5.120 -1.049 1.00 0.00 H new ATOM 788 N PHE A 178 -7.806 3.183 -2.466 1.00 0.00 N ATOM 789 CA PHE A 178 -7.604 2.374 -3.666 1.00 0.00 C ATOM 790 C PHE A 178 -7.738 3.213 -4.937 1.00 0.00 C ATOM 791 O PHE A 178 -6.969 3.047 -5.884 1.00 0.00 O ATOM 792 CB PHE A 178 -8.609 1.220 -3.702 1.00 0.00 C ATOM 793 CG PHE A 178 -8.735 0.490 -2.396 1.00 0.00 C ATOM 794 CD1 PHE A 178 -7.607 0.130 -1.677 1.00 0.00 C ATOM 795 CD2 PHE A 178 -9.983 0.166 -1.885 1.00 0.00 C ATOM 796 CE1 PHE A 178 -7.720 -0.542 -0.474 1.00 0.00 C ATOM 797 CE2 PHE A 178 -10.101 -0.504 -0.683 1.00 0.00 C ATOM 798 CZ PHE A 178 -8.969 -0.858 0.023 1.00 0.00 C ATOM 0 H PHE A 178 -8.443 2.771 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 178 -6.591 1.974 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -9.586 1.610 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -8.310 0.513 -4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -6.628 0.377 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -10.872 0.441 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -6.833 -0.819 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -11.078 -0.751 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 178 -9.060 -1.382 0.963 1.00 0.00 H new ATOM 808 N SER A 179 -8.718 4.111 -4.951 1.00 0.00 N ATOM 809 CA SER A 179 -8.953 4.971 -6.108 1.00 0.00 C ATOM 810 C SER A 179 -7.967 6.139 -6.155 1.00 0.00 C ATOM 811 O SER A 179 -7.994 6.943 -7.087 1.00 0.00 O ATOM 812 CB SER A 179 -10.387 5.503 -6.086 1.00 0.00 C ATOM 813 OG SER A 179 -10.505 6.613 -5.212 1.00 0.00 O ATOM 0 H SER A 179 -9.362 4.263 -4.175 1.00 0.00 H new ATOM 0 HA SER A 179 -8.801 4.368 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.685 5.795 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 179 -11.067 4.712 -5.769 1.00 0.00 H new ATOM 0 HG SER A 179 -11.430 6.936 -5.217 1.00 0.00 H new ATOM 819 N GLN A 180 -7.100 6.233 -5.150 1.00 0.00 N ATOM 820 CA GLN A 180 -6.114 7.307 -5.090 1.00 0.00 C ATOM 821 C GLN A 180 -4.687 6.758 -5.073 1.00 0.00 C ATOM 822 O GLN A 180 -3.731 7.504 -4.854 1.00 0.00 O ATOM 823 CB GLN A 180 -6.352 8.172 -3.849 1.00 0.00 C ATOM 824 CG GLN A 180 -7.672 8.924 -3.877 1.00 0.00 C ATOM 825 CD GLN A 180 -7.774 9.960 -2.774 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.497 9.673 -1.610 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.177 11.172 -3.137 1.00 0.00 N ATOM 0 H GLN A 180 -7.061 5.580 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.231 7.916 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.323 7.538 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.537 8.889 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.786 9.415 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.493 8.214 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.396 11.365 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -8.267 11.910 -2.439 1.00 0.00 H new ATOM 836 N VAL A 181 -4.544 5.455 -5.304 1.00 0.00 N ATOM 837 CA VAL A 181 -3.230 4.824 -5.313 1.00 0.00 C ATOM 838 C VAL A 181 -3.170 3.689 -6.331 1.00 0.00 C ATOM 839 O VAL A 181 -4.200 3.221 -6.816 1.00 0.00 O ATOM 840 CB VAL A 181 -2.862 4.273 -3.924 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.670 5.408 -2.931 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.929 3.302 -3.438 1.00 0.00 C ATOM 0 H VAL A 181 -5.320 4.819 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.512 5.595 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.919 3.732 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -2.410 4.998 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.868 6.061 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.594 5.981 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.654 2.921 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.887 3.817 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -4.011 2.471 -4.139 1.00 0.00 H new ATOM 852 N VAL A 182 -1.955 3.249 -6.648 1.00 0.00 N ATOM 853 CA VAL A 182 -1.760 2.168 -7.606 1.00 0.00 C ATOM 854 C VAL A 182 -0.590 1.279 -7.198 1.00 0.00 C ATOM 855 O VAL A 182 0.392 1.751 -6.625 1.00 0.00 O ATOM 856 CB VAL A 182 -1.504 2.711 -9.023 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.736 3.431 -9.550 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.294 3.632 -9.033 1.00 0.00 C ATOM 0 H VAL A 182 -1.092 3.625 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.678 1.581 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.294 1.868 -9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.536 3.808 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.576 2.737 -9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.980 4.264 -8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.129 4.006 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.470 4.471 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.586 3.080 -8.702 1.00 0.00 H new ATOM 868 N LYS A 183 -0.702 -0.011 -7.497 1.00 0.00 N ATOM 869 CA LYS A 183 0.348 -0.967 -7.162 1.00 0.00 C ATOM 870 C LYS A 183 1.622 -0.679 -7.950 1.00 0.00 C ATOM 871 O LYS A 183 1.572 -0.389 -9.146 1.00 0.00 O ATOM 872 CB LYS A 183 -0.128 -2.396 -7.436 1.00 0.00 C ATOM 873 CG LYS A 183 0.093 -3.344 -6.268 1.00 0.00 C ATOM 874 CD LYS A 183 0.506 -4.728 -6.742 1.00 0.00 C ATOM 875 CE LYS A 183 1.007 -5.585 -5.589 1.00 0.00 C ATOM 876 NZ LYS A 183 1.529 -6.898 -6.059 1.00 0.00 N ATOM 0 H LYS A 183 -1.508 -0.419 -7.970 1.00 0.00 H new ATOM 0 HA LYS A 183 0.572 -0.864 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.190 -2.376 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.394 -2.783 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.862 -2.939 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -0.822 -3.418 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.342 -5.218 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.288 -4.637 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 183 1.794 -5.052 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 183 0.196 -5.750 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 1.860 -7.452 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 0.772 -7.418 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.320 -6.742 -6.716 1.00 0.00 H new ATOM 890 N ALA A 184 2.761 -0.760 -7.272 1.00 0.00 N ATOM 891 CA ALA A 184 4.049 -0.508 -7.907 1.00 0.00 C ATOM 892 C ALA A 184 5.080 -1.550 -7.491 1.00 0.00 C ATOM 893 O ALA A 184 5.343 -1.668 -6.275 1.00 0.00 O ATOM 894 CB ALA A 184 4.542 0.889 -7.565 1.00 0.00 C ATOM 895 OXT ALA A 184 5.614 -2.243 -8.383 1.00 0.00 O ATOM 0 H ALA A 184 2.819 -0.998 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 184 3.913 -0.580 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.505 1.063 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.821 1.626 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.654 0.981 -6.485 1.00 0.00 H new TER 901 ALA A 184