USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 168 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 169 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0.18) USER MOD Set 2.1: A 134 CYS SG : rot 144:sc= 0.987 USER MOD Set 2.2: A 137 CYS SG : rot -60:sc= -2.05! USER MOD Set 2.3: A 158 HIS : no HD1:sc= -3.38! C(o=-5.6!,f=-7.7!) USER MOD Set 2.4: A 161 CYS SG : rot -171:sc= -1.14 USER MOD Set 3.1: A 153 CYS SG : rot -151:sc= -0.686 USER MOD Set 3.2: A 155 HIS :FLIP no HE2:sc= -0.243 F(o=-13,f=-11) USER MOD Set 3.3: A 172 CYS SG : rot 41:sc= -2.29! USER MOD Set 3.4: A 175 CYS SG : rot -62:sc= -8.27! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.123 3.035 -1.692 1.00 0.00 N ATOM 78 CA GLU A 133 7.439 2.684 -0.279 1.00 0.00 C ATOM 79 C GLU A 133 6.175 2.224 0.444 1.00 0.00 C ATOM 80 O GLU A 133 5.136 2.850 0.374 1.00 0.00 O ATOM 81 CB GLU A 133 8.017 3.902 0.442 1.00 0.00 C ATOM 82 CG GLU A 133 9.541 3.889 0.322 1.00 0.00 C ATOM 83 CD GLU A 133 9.961 4.613 -0.958 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.734 5.809 -1.041 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.502 3.960 -1.834 1.00 0.00 O ATOM 0 HA GLU A 133 8.171 1.876 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.615 4.818 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.724 3.890 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.988 4.374 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.906 2.862 0.307 1.00 0.00 H new ATOM 92 N CYS A 134 6.272 1.136 1.151 1.00 0.00 N ATOM 93 CA CYS A 134 5.104 0.613 1.906 1.00 0.00 C ATOM 94 C CYS A 134 4.796 1.566 3.061 1.00 0.00 C ATOM 95 O CYS A 134 5.565 1.690 3.993 1.00 0.00 O ATOM 96 CB CYS A 134 5.475 -0.761 2.458 1.00 0.00 C ATOM 97 SG CYS A 134 4.012 -1.655 3.041 1.00 0.00 S ATOM 0 H CYS A 134 7.122 0.580 1.239 1.00 0.00 H new ATOM 0 HA CYS A 134 4.228 0.533 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.975 -1.343 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.184 -0.646 3.278 1.00 0.00 H new ATOM 0 HG CYS A 134 4.146 -2.922 2.781 1.00 0.00 H new ATOM 102 N ALA A 135 3.688 2.244 3.011 1.00 0.00 N ATOM 103 CA ALA A 135 3.354 3.187 4.113 1.00 0.00 C ATOM 104 C ALA A 135 3.097 2.396 5.396 1.00 0.00 C ATOM 105 O ALA A 135 2.951 2.959 6.463 1.00 0.00 O ATOM 106 CB ALA A 135 2.102 3.984 3.742 1.00 0.00 C ATOM 0 H ALA A 135 3.001 2.188 2.259 1.00 0.00 H new ATOM 0 HA ALA A 135 4.185 3.874 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.858 4.674 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.287 4.547 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.268 3.300 3.585 1.00 0.00 H new ATOM 112 N VAL A 136 3.031 1.095 5.303 1.00 0.00 N ATOM 113 CA VAL A 136 2.772 0.280 6.522 1.00 0.00 C ATOM 114 C VAL A 136 4.084 -0.286 7.083 1.00 0.00 C ATOM 115 O VAL A 136 4.497 0.073 8.168 1.00 0.00 O ATOM 116 CB VAL A 136 1.831 -0.866 6.170 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.657 -1.772 7.391 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.470 -0.299 5.759 1.00 0.00 C ATOM 0 H VAL A 136 3.145 0.564 4.439 1.00 0.00 H new ATOM 0 HA VAL A 136 2.316 0.916 7.281 1.00 0.00 H new ATOM 0 HB VAL A 136 2.249 -1.442 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.984 -2.593 7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.626 -2.174 7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.237 -1.195 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.204 -1.118 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.051 0.275 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.593 0.350 4.892 1.00 0.00 H new ATOM 128 N CYS A 137 4.747 -1.170 6.375 1.00 0.00 N ATOM 129 CA CYS A 137 6.018 -1.725 6.928 1.00 0.00 C ATOM 130 C CYS A 137 7.215 -0.911 6.422 1.00 0.00 C ATOM 131 O CYS A 137 8.312 -1.021 6.935 1.00 0.00 O ATOM 132 CB CYS A 137 6.189 -3.207 6.555 1.00 0.00 C ATOM 133 SG CYS A 137 6.742 -3.381 4.841 1.00 0.00 S ATOM 0 H CYS A 137 4.470 -1.523 5.459 1.00 0.00 H new ATOM 0 HA CYS A 137 5.971 -1.654 8.015 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.912 -3.673 7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.244 -3.732 6.692 1.00 0.00 H new ATOM 0 HG CYS A 137 5.859 -2.856 4.045 1.00 0.00 H new ATOM 138 N LEU A 138 7.015 -0.093 5.424 1.00 0.00 N ATOM 139 CA LEU A 138 8.139 0.730 4.892 1.00 0.00 C ATOM 140 C LEU A 138 9.295 -0.186 4.498 1.00 0.00 C ATOM 141 O LEU A 138 10.451 0.122 4.715 1.00 0.00 O ATOM 142 CB LEU A 138 8.607 1.711 5.967 1.00 0.00 C ATOM 143 CG LEU A 138 7.458 2.648 6.343 1.00 0.00 C ATOM 144 CD1 LEU A 138 7.615 3.090 7.798 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.486 3.878 5.432 1.00 0.00 C ATOM 0 H LEU A 138 6.120 0.041 4.953 1.00 0.00 H new ATOM 0 HA LEU A 138 7.801 1.286 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.948 1.166 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.456 2.289 5.601 1.00 0.00 H new ATOM 0 HG LEU A 138 6.509 2.126 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.796 3.758 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.597 2.215 8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.564 3.613 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.668 4.547 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.435 4.399 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.375 3.565 4.394 1.00 0.00 H new ATOM 157 N ALA A 139 8.991 -1.313 3.919 1.00 0.00 N ATOM 158 CA ALA A 139 10.071 -2.254 3.506 1.00 0.00 C ATOM 159 C ALA A 139 10.165 -2.284 1.980 1.00 0.00 C ATOM 160 O ALA A 139 9.175 -2.432 1.290 1.00 0.00 O ATOM 161 CB ALA A 139 9.753 -3.656 4.028 1.00 0.00 C ATOM 0 H ALA A 139 8.042 -1.624 3.713 1.00 0.00 H new ATOM 0 HA ALA A 139 11.022 -1.921 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.542 -4.344 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.688 -3.633 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.802 -3.991 3.614 1.00 0.00 H new ATOM 167 N GLU A 140 11.348 -2.144 1.447 1.00 0.00 N ATOM 168 CA GLU A 140 11.504 -2.164 -0.035 1.00 0.00 C ATOM 169 C GLU A 140 10.692 -3.322 -0.616 1.00 0.00 C ATOM 170 O GLU A 140 10.922 -4.473 -0.303 1.00 0.00 O ATOM 171 CB GLU A 140 12.981 -2.350 -0.390 1.00 0.00 C ATOM 172 CG GLU A 140 13.488 -1.116 -1.138 1.00 0.00 C ATOM 173 CD GLU A 140 14.665 -1.510 -2.032 1.00 0.00 C ATOM 174 OE1 GLU A 140 14.419 -1.944 -3.145 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.793 -1.370 -1.589 1.00 0.00 O ATOM 0 H GLU A 140 12.212 -2.017 1.973 1.00 0.00 H new ATOM 0 HA GLU A 140 11.146 -1.222 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.567 -2.505 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.108 -3.239 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.687 -0.688 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.797 -0.349 -0.428 1.00 0.00 H new ATOM 182 N LEU A 141 9.743 -3.027 -1.462 1.00 0.00 N ATOM 183 CA LEU A 141 8.917 -4.111 -2.061 1.00 0.00 C ATOM 184 C LEU A 141 9.825 -5.091 -2.808 1.00 0.00 C ATOM 185 O LEU A 141 10.175 -4.880 -3.952 1.00 0.00 O ATOM 186 CB LEU A 141 7.909 -3.502 -3.039 1.00 0.00 C ATOM 187 CG LEU A 141 6.731 -2.913 -2.261 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.039 -1.847 -3.111 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.734 -4.025 -1.928 1.00 0.00 C ATOM 0 H LEU A 141 9.505 -2.082 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 141 8.383 -4.640 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.389 -2.726 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.555 -4.264 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 141 7.095 -2.461 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.200 -1.428 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.749 -1.055 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.675 -2.298 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.894 -3.607 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.371 -4.476 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.226 -4.785 -1.322 1.00 0.00 H new ATOM 201 N GLU A 142 10.210 -6.163 -2.170 1.00 0.00 N ATOM 202 CA GLU A 142 11.095 -7.155 -2.843 1.00 0.00 C ATOM 203 C GLU A 142 10.237 -8.172 -3.600 1.00 0.00 C ATOM 204 O GLU A 142 9.061 -8.325 -3.337 1.00 0.00 O ATOM 205 CB GLU A 142 11.940 -7.883 -1.794 1.00 0.00 C ATOM 206 CG GLU A 142 12.691 -6.857 -0.943 1.00 0.00 C ATOM 207 CD GLU A 142 14.184 -6.914 -1.271 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.510 -6.992 -2.445 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.977 -6.878 -0.345 1.00 0.00 O ATOM 0 H GLU A 142 9.949 -6.394 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 142 11.752 -6.638 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.302 -8.499 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.647 -8.554 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.304 -5.856 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.533 -7.062 0.116 1.00 0.00 H new ATOM 216 N ASP A 143 10.816 -8.869 -4.540 1.00 0.00 N ATOM 217 CA ASP A 143 10.033 -9.874 -5.312 1.00 0.00 C ATOM 218 C ASP A 143 9.781 -11.107 -4.440 1.00 0.00 C ATOM 219 O ASP A 143 10.636 -11.535 -3.691 1.00 0.00 O ATOM 220 CB ASP A 143 10.818 -10.284 -6.560 1.00 0.00 C ATOM 221 CG ASP A 143 11.087 -9.049 -7.423 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.694 -7.969 -7.015 1.00 0.00 O ATOM 223 OD2 ASP A 143 11.682 -9.206 -8.477 1.00 0.00 O ATOM 0 H ASP A 143 11.797 -8.785 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 143 9.079 -9.439 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.760 -10.752 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.255 -11.023 -7.130 1.00 0.00 H new ATOM 228 N GLY A 144 8.611 -11.680 -4.531 1.00 0.00 N ATOM 229 CA GLY A 144 8.304 -12.883 -3.707 1.00 0.00 C ATOM 230 C GLY A 144 7.016 -12.646 -2.917 1.00 0.00 C ATOM 231 O GLY A 144 6.419 -13.566 -2.392 1.00 0.00 O ATOM 0 H GLY A 144 7.855 -11.367 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.194 -13.758 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.129 -13.090 -3.025 1.00 0.00 H new ATOM 235 N GLU A 145 6.582 -11.419 -2.827 1.00 0.00 N ATOM 236 CA GLU A 145 5.333 -11.122 -2.070 1.00 0.00 C ATOM 237 C GLU A 145 4.230 -10.713 -3.050 1.00 0.00 C ATOM 238 O GLU A 145 4.423 -10.714 -4.250 1.00 0.00 O ATOM 239 CB GLU A 145 5.593 -9.981 -1.085 1.00 0.00 C ATOM 240 CG GLU A 145 6.661 -10.412 -0.077 1.00 0.00 C ATOM 241 CD GLU A 145 6.093 -10.315 1.341 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.334 -9.394 1.592 1.00 0.00 O ATOM 243 OE2 GLU A 145 6.429 -11.163 2.150 1.00 0.00 O ATOM 0 H GLU A 145 7.039 -10.608 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 145 5.019 -12.009 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 145 5.922 -9.091 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 145 4.672 -9.718 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.980 -11.434 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.542 -9.778 -0.171 1.00 0.00 H new ATOM 250 N GLU A 146 3.077 -10.363 -2.549 1.00 0.00 N ATOM 251 CA GLU A 146 1.966 -9.956 -3.455 1.00 0.00 C ATOM 252 C GLU A 146 1.507 -8.542 -3.096 1.00 0.00 C ATOM 253 O GLU A 146 0.540 -8.353 -2.385 1.00 0.00 O ATOM 254 CB GLU A 146 0.796 -10.929 -3.297 1.00 0.00 C ATOM 255 CG GLU A 146 1.302 -12.365 -3.451 1.00 0.00 C ATOM 256 CD GLU A 146 0.808 -12.941 -4.779 1.00 0.00 C ATOM 257 OE1 GLU A 146 -0.368 -13.250 -4.867 1.00 0.00 O ATOM 258 OE2 GLU A 146 1.617 -13.064 -5.685 1.00 0.00 O ATOM 0 H GLU A 146 2.857 -10.341 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 146 2.315 -9.973 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.330 -10.799 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.031 -10.719 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.391 -12.383 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.947 -12.978 -2.622 1.00 0.00 H new ATOM 265 N ALA A 147 2.190 -7.544 -3.582 1.00 0.00 N ATOM 266 CA ALA A 147 1.794 -6.142 -3.269 1.00 0.00 C ATOM 267 C ALA A 147 0.472 -5.816 -3.965 1.00 0.00 C ATOM 268 O ALA A 147 0.214 -6.258 -5.067 1.00 0.00 O ATOM 269 CB ALA A 147 2.882 -5.188 -3.765 1.00 0.00 C ATOM 0 H ALA A 147 3.008 -7.639 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 147 1.672 -6.029 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.596 -4.161 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.824 -5.421 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.002 -5.302 -4.842 1.00 0.00 H new ATOM 275 N ARG A 148 -0.370 -5.049 -3.329 1.00 0.00 N ATOM 276 CA ARG A 148 -1.675 -4.699 -3.950 1.00 0.00 C ATOM 277 C ARG A 148 -1.675 -3.221 -4.358 1.00 0.00 C ATOM 278 O ARG A 148 -1.478 -2.341 -3.545 1.00 0.00 O ATOM 279 CB ARG A 148 -2.793 -4.953 -2.937 1.00 0.00 C ATOM 280 CG ARG A 148 -2.770 -6.421 -2.507 1.00 0.00 C ATOM 281 CD ARG A 148 -4.145 -6.816 -1.964 1.00 0.00 C ATOM 282 NE ARG A 148 -4.707 -7.921 -2.790 1.00 0.00 N ATOM 283 CZ ARG A 148 -4.999 -9.066 -2.233 1.00 0.00 C ATOM 284 NH1 ARG A 148 -4.089 -9.716 -1.563 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.203 -9.557 -2.345 1.00 0.00 N ATOM 0 H ARG A 148 -0.209 -4.650 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.835 -5.312 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.665 -4.307 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.759 -4.707 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.506 -7.055 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -2.008 -6.575 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.060 -7.132 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.815 -5.957 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 148 -4.864 -7.784 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -3.149 -9.331 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -4.317 -10.610 -1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -6.915 -9.047 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.432 -10.451 -1.910 1.00 0.00 H new ATOM 299 N PHE A 149 -1.906 -2.944 -5.614 1.00 0.00 N ATOM 300 CA PHE A 149 -1.930 -1.527 -6.084 1.00 0.00 C ATOM 301 C PHE A 149 -3.389 -1.070 -6.204 1.00 0.00 C ATOM 302 O PHE A 149 -4.260 -1.854 -6.521 1.00 0.00 O ATOM 303 CB PHE A 149 -1.255 -1.435 -7.455 1.00 0.00 C ATOM 304 CG PHE A 149 0.176 -1.908 -7.347 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.449 -3.257 -7.095 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.228 -0.997 -7.500 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.774 -3.696 -6.994 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.553 -1.436 -7.400 1.00 0.00 C ATOM 309 CZ PHE A 149 2.827 -2.785 -7.147 1.00 0.00 C ATOM 0 H PHE A 149 -2.080 -3.641 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.398 -0.892 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.796 -2.043 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.283 -0.407 -7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.363 -3.960 -6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.017 0.044 -7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.985 -4.737 -6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.365 -0.733 -7.518 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.850 -3.123 -7.070 1.00 0.00 H new ATOM 319 N LEU A 150 -3.673 0.182 -5.952 1.00 0.00 N ATOM 320 CA LEU A 150 -5.088 0.648 -6.057 1.00 0.00 C ATOM 321 C LEU A 150 -5.298 1.381 -7.388 1.00 0.00 C ATOM 322 O LEU A 150 -4.353 1.825 -8.006 1.00 0.00 O ATOM 323 CB LEU A 150 -5.411 1.577 -4.884 1.00 0.00 C ATOM 324 CG LEU A 150 -4.982 0.913 -3.572 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.635 1.638 -2.396 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.426 -0.554 -3.566 1.00 0.00 C ATOM 0 H LEU A 150 -2.995 0.894 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.756 -0.213 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.895 2.529 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.479 1.794 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.897 0.967 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.330 1.165 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.322 2.682 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.719 1.584 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.119 -1.023 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.511 -0.606 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.964 -1.077 -4.403 1.00 0.00 H new ATOM 338 N PRO A 151 -6.541 1.464 -7.798 1.00 0.00 N ATOM 339 CA PRO A 151 -6.922 2.114 -9.069 1.00 0.00 C ATOM 340 C PRO A 151 -6.927 3.644 -8.953 1.00 0.00 C ATOM 341 O PRO A 151 -6.455 4.337 -9.833 1.00 0.00 O ATOM 342 CB PRO A 151 -8.338 1.588 -9.324 1.00 0.00 C ATOM 343 CG PRO A 151 -8.896 1.144 -7.952 1.00 0.00 C ATOM 344 CD PRO A 151 -7.681 0.917 -7.034 1.00 0.00 C ATOM 0 HA PRO A 151 -6.222 1.890 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.966 2.362 -9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.321 0.753 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.557 1.905 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.483 0.231 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.802 1.429 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.541 -0.141 -6.813 1.00 0.00 H new ATOM 352 N ARG A 152 -7.468 4.183 -7.895 1.00 0.00 N ATOM 353 CA ARG A 152 -7.508 5.670 -7.764 1.00 0.00 C ATOM 354 C ARG A 152 -6.115 6.255 -7.961 1.00 0.00 C ATOM 355 O ARG A 152 -5.933 7.258 -8.621 1.00 0.00 O ATOM 356 CB ARG A 152 -7.942 6.067 -6.354 1.00 0.00 C ATOM 357 CG ARG A 152 -9.258 5.404 -5.965 1.00 0.00 C ATOM 358 CD ARG A 152 -10.015 6.328 -5.003 1.00 0.00 C ATOM 359 NE ARG A 152 -11.439 6.443 -5.426 1.00 0.00 N ATOM 360 CZ ARG A 152 -12.191 5.379 -5.480 1.00 0.00 C ATOM 361 NH1 ARG A 152 -12.208 4.646 -6.561 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.928 5.048 -4.456 1.00 0.00 N ATOM 0 H ARG A 152 -7.882 3.664 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.206 6.044 -8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.167 5.785 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.049 7.150 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.859 5.210 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.069 4.440 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.959 5.935 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.550 7.314 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.826 7.354 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -11.633 4.906 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.796 3.814 -6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -12.916 5.622 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.516 4.216 -4.499 1.00 0.00 H new ATOM 376 N CYS A 153 -5.141 5.663 -7.338 1.00 0.00 N ATOM 377 CA CYS A 153 -3.761 6.214 -7.421 1.00 0.00 C ATOM 378 C CYS A 153 -2.780 5.201 -8.016 1.00 0.00 C ATOM 379 O CYS A 153 -2.029 5.513 -8.919 1.00 0.00 O ATOM 380 CB CYS A 153 -3.310 6.572 -6.005 1.00 0.00 C ATOM 381 SG CYS A 153 -3.815 5.254 -4.861 1.00 0.00 S ATOM 0 H CYS A 153 -5.239 4.819 -6.773 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.771 7.089 -8.071 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.228 6.698 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.750 7.522 -5.700 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.007 5.757 -3.678 1.00 0.00 H new ATOM 386 N GLY A 154 -2.751 4.006 -7.501 1.00 0.00 N ATOM 387 CA GLY A 154 -1.786 3.003 -8.019 1.00 0.00 C ATOM 388 C GLY A 154 -0.729 2.733 -6.945 1.00 0.00 C ATOM 389 O GLY A 154 0.143 1.904 -7.116 1.00 0.00 O ATOM 0 H GLY A 154 -3.353 3.681 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.304 2.080 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.313 3.370 -8.930 1.00 0.00 H new ATOM 393 N HIS A 155 -0.802 3.420 -5.828 1.00 0.00 N ATOM 394 CA HIS A 155 0.198 3.179 -4.749 1.00 0.00 C ATOM 395 C HIS A 155 0.263 1.671 -4.503 1.00 0.00 C ATOM 396 O HIS A 155 -0.729 1.048 -4.182 1.00 0.00 O ATOM 397 CB HIS A 155 -0.229 3.880 -3.451 1.00 0.00 C ATOM 398 CG HIS A 155 -0.007 5.371 -3.542 1.00 0.00 C ATOM 399 ND1 HIS A 155 1.028 6.119 -4.041 1.00 0.00 N flip ATOM 400 CD2 HIS A 155 -0.947 6.279 -3.062 1.00 0.00 C flip ATOM 401 CE1 HIS A 155 0.747 7.470 -3.879 1.00 0.00 C flip ATOM 402 NE2 HIS A 155 -0.450 7.513 -3.286 1.00 0.00 N flip ATOM 0 H HIS A 155 -1.505 4.130 -5.622 1.00 0.00 H new ATOM 0 HA HIS A 155 1.168 3.573 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.282 3.677 -3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.337 3.475 -2.612 1.00 0.00 H new ATOM 0 HD1 HIS A 155 1.875 5.741 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -1.893 6.041 -2.599 1.00 0.00 H new ATOM 0 HE1 HIS A 155 1.364 8.307 -4.170 1.00 0.00 H new ATOM 409 N GLY A 156 1.406 1.072 -4.667 1.00 0.00 N ATOM 410 CA GLY A 156 1.495 -0.401 -4.457 1.00 0.00 C ATOM 411 C GLY A 156 1.977 -0.712 -3.040 1.00 0.00 C ATOM 412 O GLY A 156 3.057 -0.330 -2.636 1.00 0.00 O ATOM 0 H GLY A 156 2.277 1.531 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.519 -0.858 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.180 -0.837 -5.184 1.00 0.00 H new ATOM 416 N PHE A 157 1.178 -1.419 -2.292 1.00 0.00 N ATOM 417 CA PHE A 157 1.560 -1.791 -0.900 1.00 0.00 C ATOM 418 C PHE A 157 1.714 -3.305 -0.841 1.00 0.00 C ATOM 419 O PHE A 157 1.706 -3.972 -1.851 1.00 0.00 O ATOM 420 CB PHE A 157 0.458 -1.327 0.062 1.00 0.00 C ATOM 421 CG PHE A 157 0.282 0.159 -0.096 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.609 0.652 -1.052 1.00 0.00 C ATOM 423 CD2 PHE A 157 1.018 1.045 0.701 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.770 2.027 -1.211 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.858 2.425 0.541 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.036 2.917 -0.415 1.00 0.00 C ATOM 0 H PHE A 157 0.264 -1.760 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 157 2.498 -1.316 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.477 -1.844 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.726 -1.570 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.173 -0.033 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.708 0.663 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.461 2.407 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.424 3.110 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.161 3.982 -0.540 1.00 0.00 H new ATOM 436 N HIS A 158 1.866 -3.855 0.323 1.00 0.00 N ATOM 437 CA HIS A 158 2.033 -5.329 0.424 1.00 0.00 C ATOM 438 C HIS A 158 0.673 -5.997 0.548 1.00 0.00 C ATOM 439 O HIS A 158 -0.291 -5.388 0.945 1.00 0.00 O ATOM 440 CB HIS A 158 2.849 -5.646 1.669 1.00 0.00 C ATOM 441 CG HIS A 158 4.309 -5.656 1.305 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.209 -4.803 1.907 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.025 -6.370 0.377 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.407 -5.006 1.336 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.354 -5.956 0.398 1.00 0.00 N ATOM 0 H HIS A 158 1.882 -3.352 1.210 1.00 0.00 H new ATOM 0 HA HIS A 158 2.538 -5.698 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.659 -4.903 2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.555 -6.614 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.620 -7.135 -0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.304 -4.467 1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.121 -6.303 -0.178 1.00 0.00 H new ATOM 452 N ALA A 159 0.588 -7.258 0.242 1.00 0.00 N ATOM 453 CA ALA A 159 -0.713 -7.953 0.392 1.00 0.00 C ATOM 454 C ALA A 159 -0.927 -8.178 1.886 1.00 0.00 C ATOM 455 O ALA A 159 -2.040 -8.229 2.374 1.00 0.00 O ATOM 456 CB ALA A 159 -0.670 -9.298 -0.335 1.00 0.00 C ATOM 0 H ALA A 159 1.357 -7.833 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.524 -7.362 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.629 -9.804 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.470 -9.133 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 159 0.120 -9.917 0.091 1.00 0.00 H new ATOM 462 N GLU A 160 0.153 -8.306 2.615 1.00 0.00 N ATOM 463 CA GLU A 160 0.059 -8.520 4.085 1.00 0.00 C ATOM 464 C GLU A 160 -0.096 -7.175 4.803 1.00 0.00 C ATOM 465 O GLU A 160 -0.983 -7.001 5.608 1.00 0.00 O ATOM 466 CB GLU A 160 1.327 -9.219 4.582 1.00 0.00 C ATOM 467 CG GLU A 160 1.628 -10.429 3.696 1.00 0.00 C ATOM 468 CD GLU A 160 3.064 -10.895 3.940 1.00 0.00 C ATOM 469 OE1 GLU A 160 3.296 -11.530 4.955 1.00 0.00 O ATOM 470 OE2 GLU A 160 3.909 -10.607 3.108 1.00 0.00 O ATOM 0 H GLU A 160 1.104 -8.270 2.247 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.811 -9.141 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.167 -8.525 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.197 -9.537 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.930 -11.237 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.493 -10.167 2.647 1.00 0.00 H new ATOM 477 N CYS A 161 0.761 -6.219 4.530 1.00 0.00 N ATOM 478 CA CYS A 161 0.631 -4.904 5.220 1.00 0.00 C ATOM 479 C CYS A 161 -0.670 -4.244 4.786 1.00 0.00 C ATOM 480 O CYS A 161 -1.349 -3.616 5.567 1.00 0.00 O ATOM 481 CB CYS A 161 1.796 -3.983 4.859 1.00 0.00 C ATOM 482 SG CYS A 161 3.349 -4.878 4.946 1.00 0.00 S ATOM 0 H CYS A 161 1.533 -6.294 3.868 1.00 0.00 H new ATOM 0 HA CYS A 161 0.637 -5.073 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.655 -3.583 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.820 -3.132 5.540 1.00 0.00 H new ATOM 0 HG CYS A 161 4.338 -4.045 4.815 1.00 0.00 H new ATOM 487 N VAL A 162 -1.017 -4.374 3.538 1.00 0.00 N ATOM 488 CA VAL A 162 -2.282 -3.745 3.055 1.00 0.00 C ATOM 489 C VAL A 162 -3.479 -4.374 3.779 1.00 0.00 C ATOM 490 O VAL A 162 -4.447 -3.710 4.089 1.00 0.00 O ATOM 491 CB VAL A 162 -2.431 -3.955 1.543 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.826 -5.408 1.261 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.523 -3.026 1.010 1.00 0.00 C ATOM 0 H VAL A 162 -0.485 -4.885 2.833 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.249 -2.676 3.265 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.483 -3.734 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.931 -5.554 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.054 -6.076 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.774 -5.629 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.632 -3.172 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.467 -3.253 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.249 -1.990 1.209 1.00 0.00 H new ATOM 503 N ASP A 163 -3.422 -5.653 4.046 1.00 0.00 N ATOM 504 CA ASP A 163 -4.559 -6.322 4.745 1.00 0.00 C ATOM 505 C ASP A 163 -4.608 -5.864 6.204 1.00 0.00 C ATOM 506 O ASP A 163 -5.631 -5.428 6.694 1.00 0.00 O ATOM 507 CB ASP A 163 -4.364 -7.841 4.691 1.00 0.00 C ATOM 508 CG ASP A 163 -5.036 -8.396 3.436 1.00 0.00 C ATOM 509 OD1 ASP A 163 -6.256 -8.424 3.404 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.321 -8.786 2.526 1.00 0.00 O ATOM 0 H ASP A 163 -2.638 -6.262 3.811 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.495 -6.056 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.301 -8.082 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.790 -8.305 5.580 1.00 0.00 H new ATOM 515 N MET A 164 -3.512 -5.956 6.901 1.00 0.00 N ATOM 516 CA MET A 164 -3.493 -5.519 8.323 1.00 0.00 C ATOM 517 C MET A 164 -3.753 -4.014 8.383 1.00 0.00 C ATOM 518 O MET A 164 -4.193 -3.487 9.386 1.00 0.00 O ATOM 519 CB MET A 164 -2.124 -5.827 8.934 1.00 0.00 C ATOM 520 CG MET A 164 -2.060 -7.304 9.324 1.00 0.00 C ATOM 521 SD MET A 164 -0.449 -7.663 10.068 1.00 0.00 S ATOM 522 CE MET A 164 -0.826 -9.342 10.628 1.00 0.00 C ATOM 0 H MET A 164 -2.626 -6.316 6.546 1.00 0.00 H new ATOM 0 HA MET A 164 -4.263 -6.049 8.883 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.334 -5.594 8.220 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.956 -5.201 9.810 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.858 -7.540 10.028 1.00 0.00 H new ATOM 0 HG3 MET A 164 -2.214 -7.930 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.047 -9.764 11.126 1.00 0.00 H new ATOM 0 HE2 MET A 164 -1.663 -9.314 11.325 1.00 0.00 H new ATOM 0 HE3 MET A 164 -1.089 -9.961 9.770 1.00 0.00 H new ATOM 532 N TRP A 165 -3.483 -3.320 7.312 1.00 0.00 N ATOM 533 CA TRP A 165 -3.714 -1.850 7.298 1.00 0.00 C ATOM 534 C TRP A 165 -5.196 -1.579 7.099 1.00 0.00 C ATOM 535 O TRP A 165 -5.691 -0.516 7.416 1.00 0.00 O ATOM 536 CB TRP A 165 -2.947 -1.211 6.145 1.00 0.00 C ATOM 537 CG TRP A 165 -3.312 0.238 6.062 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.291 0.759 5.280 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.726 1.358 6.785 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.326 2.133 5.470 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.385 2.545 6.391 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.693 1.458 7.735 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.032 3.785 6.916 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.336 2.708 8.268 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.004 3.869 7.859 1.00 0.00 C ATOM 0 H TRP A 165 -3.112 -3.709 6.445 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.372 -1.429 8.244 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.874 -1.321 6.300 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.187 -1.714 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -4.936 0.198 4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -4.969 2.761 4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.171 0.569 8.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.550 4.677 6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.542 2.774 8.997 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.725 4.827 8.272 1.00 0.00 H new ATOM 556 N LEU A 166 -5.913 -2.529 6.576 1.00 0.00 N ATOM 557 CA LEU A 166 -7.354 -2.313 6.363 1.00 0.00 C ATOM 558 C LEU A 166 -8.040 -2.367 7.719 1.00 0.00 C ATOM 559 O LEU A 166 -8.414 -1.351 8.254 1.00 0.00 O ATOM 560 CB LEU A 166 -7.897 -3.417 5.452 1.00 0.00 C ATOM 561 CG LEU A 166 -7.419 -3.172 4.021 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.480 -4.480 3.229 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.320 -2.132 3.354 1.00 0.00 C ATOM 0 H LEU A 166 -5.559 -3.442 6.289 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.539 -1.348 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.556 -4.392 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -8.986 -3.430 5.487 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.392 -2.807 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.139 -4.304 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.838 -5.223 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.506 -4.846 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.980 -1.957 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.347 -2.498 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.277 -1.199 3.916 1.00 0.00 H new ATOM 575 N GLY A 167 -8.148 -3.549 8.277 1.00 0.00 N ATOM 576 CA GLY A 167 -8.782 -3.738 9.632 1.00 0.00 C ATOM 577 C GLY A 167 -9.675 -2.546 10.004 1.00 0.00 C ATOM 578 O GLY A 167 -9.649 -2.085 11.127 1.00 0.00 O ATOM 0 H GLY A 167 -7.818 -4.412 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.375 -4.653 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.004 -3.861 10.385 1.00 0.00 H new ATOM 582 N SER A 168 -10.442 -2.051 9.057 1.00 0.00 N ATOM 583 CA SER A 168 -11.342 -0.871 9.292 1.00 0.00 C ATOM 584 C SER A 168 -11.245 0.057 8.079 1.00 0.00 C ATOM 585 O SER A 168 -12.205 0.259 7.361 1.00 0.00 O ATOM 586 CB SER A 168 -10.924 -0.089 10.541 1.00 0.00 C ATOM 587 OG SER A 168 -11.522 1.199 10.511 1.00 0.00 O ATOM 0 H SER A 168 -10.482 -2.425 8.109 1.00 0.00 H new ATOM 0 HA SER A 168 -12.360 -1.232 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.232 -0.624 11.439 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.839 0.002 10.580 1.00 0.00 H new ATOM 0 HG SER A 168 -11.257 1.701 11.310 1.00 0.00 H new ATOM 593 N HIS A 169 -10.087 0.623 7.842 1.00 0.00 N ATOM 594 CA HIS A 169 -9.928 1.534 6.673 1.00 0.00 C ATOM 595 C HIS A 169 -9.933 0.711 5.385 1.00 0.00 C ATOM 596 O HIS A 169 -9.010 -0.026 5.102 1.00 0.00 O ATOM 597 CB HIS A 169 -8.591 2.287 6.779 1.00 0.00 C ATOM 598 CG HIS A 169 -8.625 3.206 7.969 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.561 4.032 8.294 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.587 3.443 8.919 1.00 0.00 C ATOM 601 CE1 HIS A 169 -7.904 4.720 9.398 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.129 4.398 9.821 1.00 0.00 N ATOM 0 H HIS A 169 -9.248 0.492 8.408 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.751 2.249 6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.769 1.578 6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.411 2.860 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.553 2.961 8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.266 5.444 9.883 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.623 4.772 10.631 1.00 0.00 H new ATOM 610 N SER A 170 -10.959 0.850 4.592 1.00 0.00 N ATOM 611 CA SER A 170 -11.017 0.097 3.309 1.00 0.00 C ATOM 612 C SER A 170 -10.514 1.019 2.206 1.00 0.00 C ATOM 613 O SER A 170 -11.154 1.210 1.193 1.00 0.00 O ATOM 614 CB SER A 170 -12.459 -0.319 3.018 1.00 0.00 C ATOM 615 OG SER A 170 -13.142 -0.539 4.245 1.00 0.00 O ATOM 0 H SER A 170 -11.760 1.453 4.778 1.00 0.00 H new ATOM 0 HA SER A 170 -10.402 -0.801 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.964 0.456 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.473 -1.226 2.413 1.00 0.00 H new ATOM 0 HG SER A 170 -14.067 -0.804 4.061 1.00 0.00 H new ATOM 621 N THR A 171 -9.374 1.614 2.419 1.00 0.00 N ATOM 622 CA THR A 171 -8.824 2.554 1.412 1.00 0.00 C ATOM 623 C THR A 171 -7.303 2.419 1.338 1.00 0.00 C ATOM 624 O THR A 171 -6.696 1.608 2.008 1.00 0.00 O ATOM 625 CB THR A 171 -9.183 3.989 1.808 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.686 4.257 3.112 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.703 4.162 1.794 1.00 0.00 C ATOM 0 H THR A 171 -8.799 1.487 3.252 1.00 0.00 H new ATOM 0 HA THR A 171 -9.251 2.318 0.437 1.00 0.00 H new ATOM 0 HB THR A 171 -8.735 4.684 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.913 5.176 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.955 5.184 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.083 3.957 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.155 3.468 2.503 1.00 0.00 H new ATOM 635 N CYS A 172 -6.699 3.228 0.521 1.00 0.00 N ATOM 636 CA CYS A 172 -5.220 3.209 0.351 1.00 0.00 C ATOM 637 C CYS A 172 -4.577 3.766 1.632 1.00 0.00 C ATOM 638 O CYS A 172 -5.039 4.757 2.163 1.00 0.00 O ATOM 639 CB CYS A 172 -4.925 4.126 -0.833 1.00 0.00 C ATOM 640 SG CYS A 172 -3.207 4.039 -1.363 1.00 0.00 S ATOM 0 H CYS A 172 -7.180 3.921 -0.053 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.828 2.207 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.573 3.857 -1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.166 5.154 -0.561 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.808 2.802 -1.340 1.00 0.00 H new ATOM 645 N PRO A 173 -3.552 3.100 2.111 1.00 0.00 N ATOM 646 CA PRO A 173 -2.861 3.501 3.355 1.00 0.00 C ATOM 647 C PRO A 173 -1.976 4.726 3.191 1.00 0.00 C ATOM 648 O PRO A 173 -1.650 5.380 4.163 1.00 0.00 O ATOM 649 CB PRO A 173 -1.991 2.295 3.697 1.00 0.00 C ATOM 650 CG PRO A 173 -1.805 1.502 2.387 1.00 0.00 C ATOM 651 CD PRO A 173 -2.975 1.896 1.468 1.00 0.00 C ATOM 0 HA PRO A 173 -3.586 3.772 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.028 2.613 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.466 1.678 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.849 1.741 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.807 0.429 2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.632 2.111 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.709 1.094 1.392 1.00 0.00 H new ATOM 659 N LEU A 174 -1.535 5.041 2.016 1.00 0.00 N ATOM 660 CA LEU A 174 -0.635 6.211 1.924 1.00 0.00 C ATOM 661 C LEU A 174 -1.401 7.478 1.541 1.00 0.00 C ATOM 662 O LEU A 174 -1.144 8.541 2.072 1.00 0.00 O ATOM 663 CB LEU A 174 0.464 5.938 0.896 1.00 0.00 C ATOM 664 CG LEU A 174 1.496 7.066 0.937 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.439 6.854 2.122 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.303 7.064 -0.363 1.00 0.00 C ATOM 0 H LEU A 174 -1.748 4.560 1.142 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.189 6.372 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.945 4.983 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.032 5.863 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 174 0.985 8.022 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.174 7.658 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.865 6.854 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.951 5.898 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 174 3.039 7.867 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.814 6.107 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.632 7.216 -1.208 1.00 0.00 H new ATOM 678 N CYS A 175 -2.340 7.394 0.644 1.00 0.00 N ATOM 679 CA CYS A 175 -3.095 8.622 0.280 1.00 0.00 C ATOM 680 C CYS A 175 -4.504 8.536 0.887 1.00 0.00 C ATOM 681 O CYS A 175 -4.970 9.479 1.487 1.00 0.00 O ATOM 682 CB CYS A 175 -3.120 8.785 -1.244 1.00 0.00 C ATOM 683 SG CYS A 175 -4.227 7.578 -1.990 1.00 0.00 S ATOM 0 H CYS A 175 -2.615 6.543 0.154 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.608 9.509 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.444 9.793 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.114 8.661 -1.645 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.790 6.379 -1.745 1.00 0.00 H new ATOM 688 N ARG A 176 -5.154 7.395 0.753 1.00 0.00 N ATOM 689 CA ARG A 176 -6.522 7.165 1.332 1.00 0.00 C ATOM 690 C ARG A 176 -7.566 7.278 0.236 1.00 0.00 C ATOM 691 O ARG A 176 -8.662 7.761 0.439 1.00 0.00 O ATOM 692 CB ARG A 176 -6.837 8.139 2.472 1.00 0.00 C ATOM 693 CG ARG A 176 -5.785 7.980 3.575 1.00 0.00 C ATOM 694 CD ARG A 176 -6.069 8.968 4.710 1.00 0.00 C ATOM 695 NE ARG A 176 -6.715 10.192 4.160 1.00 0.00 N ATOM 696 CZ ARG A 176 -7.797 10.664 4.716 1.00 0.00 C ATOM 697 NH1 ARG A 176 -8.964 10.184 4.384 1.00 0.00 N ATOM 698 NH2 ARG A 176 -7.712 11.616 5.605 1.00 0.00 N ATOM 0 H ARG A 176 -4.778 6.591 0.250 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.541 6.160 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.840 9.164 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.832 7.942 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.797 6.959 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.789 8.156 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -6.718 8.506 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.141 9.231 5.217 1.00 0.00 H new ATOM 0 HE ARG A 176 -6.312 10.661 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -9.031 9.440 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -9.810 10.553 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -6.800 11.991 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -8.558 11.985 6.040 1.00 0.00 H new ATOM 712 N LEU A 177 -7.233 6.791 -0.918 1.00 0.00 N ATOM 713 CA LEU A 177 -8.182 6.807 -2.044 1.00 0.00 C ATOM 714 C LEU A 177 -8.990 5.506 -1.990 1.00 0.00 C ATOM 715 O LEU A 177 -8.590 4.493 -2.528 1.00 0.00 O ATOM 716 CB LEU A 177 -7.387 6.884 -3.346 1.00 0.00 C ATOM 717 CG LEU A 177 -6.793 8.285 -3.504 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.644 8.247 -4.513 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.875 9.240 -4.013 1.00 0.00 C ATOM 0 H LEU A 177 -6.325 6.376 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.856 7.662 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.591 6.139 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.034 6.655 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.420 8.628 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.223 9.246 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.871 7.565 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.018 7.902 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.454 10.239 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.245 8.890 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.698 9.272 -3.299 1.00 0.00 H new