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 134 CYS SG : rot 145:sc= 0.983 USER MOD Set 1.2: A 137 CYS SG : rot -59:sc= -2.04! USER MOD Set 1.3: A 158 HIS : no HD1:sc= -0.147 K(o=-2.5,f=-3.6) USER MOD Set 1.4: A 161 CYS SG : rot -173:sc= -1.33 USER MOD Set 2.1: A 153 CYS SG : rot -151:sc= -0.149 USER MOD Set 2.2: A 155 HIS :FLIP no HE2:sc= -0.249 F(o=-12,f=-11) USER MOD Set 2.3: A 172 CYS SG : rot 30:sc= -2.31 USER MOD Set 2.4: A 175 CYS SG : rot -68:sc= -8.6! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 98:sc= -0.0875 USER MOD Single : A 169 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-1.4) 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 7.402 2.846 -1.777 1.00 0.00 N ATOM 78 CA GLU A 133 7.691 2.405 -0.383 1.00 0.00 C ATOM 79 C GLU A 133 6.400 1.976 0.314 1.00 0.00 C ATOM 80 O GLU A 133 5.334 2.502 0.063 1.00 0.00 O ATOM 81 CB GLU A 133 8.330 3.552 0.402 1.00 0.00 C ATOM 82 CG GLU A 133 9.852 3.466 0.283 1.00 0.00 C ATOM 83 CD GLU A 133 10.311 4.204 -0.976 1.00 0.00 C ATOM 84 OE1 GLU A 133 10.369 3.575 -2.020 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.597 5.386 -0.875 1.00 0.00 O ATOM 0 HA GLU A 133 8.377 1.559 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.978 4.510 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.033 3.500 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.321 3.903 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.165 2.423 0.240 1.00 0.00 H new ATOM 92 N CYS A 134 6.503 1.025 1.196 1.00 0.00 N ATOM 93 CA CYS A 134 5.309 0.538 1.939 1.00 0.00 C ATOM 94 C CYS A 134 5.062 1.461 3.132 1.00 0.00 C ATOM 95 O CYS A 134 5.841 1.508 4.063 1.00 0.00 O ATOM 96 CB CYS A 134 5.607 -0.874 2.433 1.00 0.00 C ATOM 97 SG CYS A 134 4.115 -1.684 3.067 1.00 0.00 S ATOM 0 H CYS A 134 7.377 0.557 1.438 1.00 0.00 H new ATOM 0 HA CYS A 134 4.426 0.532 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.025 -1.465 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.362 -0.834 3.218 1.00 0.00 H new ATOM 0 HG CYS A 134 4.153 -2.951 2.778 1.00 0.00 H new ATOM 102 N ALA A 135 3.993 2.204 3.111 1.00 0.00 N ATOM 103 CA ALA A 135 3.712 3.125 4.247 1.00 0.00 C ATOM 104 C ALA A 135 3.420 2.312 5.509 1.00 0.00 C ATOM 105 O ALA A 135 3.301 2.854 6.590 1.00 0.00 O ATOM 106 CB ALA A 135 2.500 3.996 3.909 1.00 0.00 C ATOM 0 H ALA A 135 3.303 2.214 2.360 1.00 0.00 H new ATOM 0 HA ALA A 135 4.581 3.760 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.294 4.670 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.710 4.579 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.632 3.360 3.734 1.00 0.00 H new ATOM 112 N VAL A 136 3.295 1.019 5.384 1.00 0.00 N ATOM 113 CA VAL A 136 3.000 0.187 6.584 1.00 0.00 C ATOM 114 C VAL A 136 4.286 -0.448 7.127 1.00 0.00 C ATOM 115 O VAL A 136 4.720 -0.130 8.217 1.00 0.00 O ATOM 116 CB VAL A 136 2.010 -0.908 6.206 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.742 -1.793 7.425 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.700 -0.271 5.742 1.00 0.00 C ATOM 0 H VAL A 136 3.384 0.505 4.507 1.00 0.00 H new ATOM 0 HA VAL A 136 2.572 0.823 7.359 1.00 0.00 H new ATOM 0 HB VAL A 136 2.426 -1.513 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.034 -2.577 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.676 -2.246 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.325 -1.187 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.009 -1.053 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.284 0.333 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.890 0.362 4.875 1.00 0.00 H new ATOM 128 N CYS A 137 4.905 -1.345 6.396 1.00 0.00 N ATOM 129 CA CYS A 137 6.153 -1.967 6.925 1.00 0.00 C ATOM 130 C CYS A 137 7.376 -1.195 6.423 1.00 0.00 C ATOM 131 O CYS A 137 8.463 -1.327 6.949 1.00 0.00 O ATOM 132 CB CYS A 137 6.260 -3.444 6.511 1.00 0.00 C ATOM 133 SG CYS A 137 6.779 -3.589 4.783 1.00 0.00 S ATOM 0 H CYS A 137 4.606 -1.666 5.475 1.00 0.00 H new ATOM 0 HA CYS A 137 6.117 -1.922 8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.975 -3.956 7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.297 -3.936 6.649 1.00 0.00 H new ATOM 0 HG CYS A 137 5.921 -2.980 4.020 1.00 0.00 H new ATOM 138 N LEU A 138 7.209 -0.390 5.409 1.00 0.00 N ATOM 139 CA LEU A 138 8.364 0.389 4.875 1.00 0.00 C ATOM 140 C LEU A 138 9.455 -0.577 4.414 1.00 0.00 C ATOM 141 O LEU A 138 10.629 -0.351 4.626 1.00 0.00 O ATOM 142 CB LEU A 138 8.916 1.298 5.973 1.00 0.00 C ATOM 143 CG LEU A 138 7.759 1.984 6.701 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.221 2.430 8.089 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.306 3.206 5.899 1.00 0.00 C ATOM 0 H LEU A 138 6.323 -0.238 4.927 1.00 0.00 H new ATOM 0 HA LEU A 138 8.037 0.998 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.508 0.715 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.581 2.045 5.540 1.00 0.00 H new ATOM 0 HG LEU A 138 6.929 1.285 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.396 2.919 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.545 1.561 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.052 3.129 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.481 3.696 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.137 3.904 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.976 2.890 4.909 1.00 0.00 H new ATOM 157 N ALA A 139 9.075 -1.652 3.782 1.00 0.00 N ATOM 158 CA ALA A 139 10.088 -2.635 3.305 1.00 0.00 C ATOM 159 C ALA A 139 10.200 -2.550 1.781 1.00 0.00 C ATOM 160 O ALA A 139 9.210 -2.530 1.077 1.00 0.00 O ATOM 161 CB ALA A 139 9.659 -4.048 3.707 1.00 0.00 C ATOM 0 H ALA A 139 8.106 -1.893 3.575 1.00 0.00 H new ATOM 0 HA ALA A 139 11.055 -2.408 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.400 -4.767 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.578 -4.109 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.693 -4.276 3.258 1.00 0.00 H new ATOM 167 N GLU A 140 11.397 -2.498 1.267 1.00 0.00 N ATOM 168 CA GLU A 140 11.569 -2.414 -0.210 1.00 0.00 C ATOM 169 C GLU A 140 10.643 -3.423 -0.888 1.00 0.00 C ATOM 170 O GLU A 140 10.549 -4.565 -0.485 1.00 0.00 O ATOM 171 CB GLU A 140 13.022 -2.733 -0.572 1.00 0.00 C ATOM 172 CG GLU A 140 13.763 -1.437 -0.902 1.00 0.00 C ATOM 173 CD GLU A 140 15.216 -1.756 -1.257 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.427 -2.471 -2.223 1.00 0.00 O ATOM 175 OE2 GLU A 140 16.094 -1.279 -0.557 1.00 0.00 O ATOM 0 H GLU A 140 12.263 -2.510 1.805 1.00 0.00 H new ATOM 0 HA GLU A 140 11.321 -1.408 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.511 -3.242 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.055 -3.410 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.277 -0.930 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.726 -0.758 -0.050 1.00 0.00 H new ATOM 182 N LEU A 141 9.955 -3.010 -1.917 1.00 0.00 N ATOM 183 CA LEU A 141 9.034 -3.944 -2.621 1.00 0.00 C ATOM 184 C LEU A 141 9.839 -4.853 -3.551 1.00 0.00 C ATOM 185 O LEU A 141 10.401 -4.410 -4.534 1.00 0.00 O ATOM 186 CB LEU A 141 8.023 -3.138 -3.439 1.00 0.00 C ATOM 187 CG LEU A 141 6.820 -2.788 -2.561 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.096 -1.574 -3.145 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.861 -3.979 -2.515 1.00 0.00 C ATOM 0 H LEU A 141 9.991 -2.065 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 141 8.505 -4.555 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.488 -2.228 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.699 -3.714 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 141 7.162 -2.555 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.239 -1.325 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.779 -0.725 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.753 -1.805 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.003 -3.731 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.520 -4.211 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.376 -4.845 -2.098 1.00 0.00 H new ATOM 201 N GLU A 142 9.899 -6.121 -3.250 1.00 0.00 N ATOM 202 CA GLU A 142 10.668 -7.058 -4.116 1.00 0.00 C ATOM 203 C GLU A 142 9.838 -8.319 -4.363 1.00 0.00 C ATOM 204 O GLU A 142 8.879 -8.589 -3.668 1.00 0.00 O ATOM 205 CB GLU A 142 11.977 -7.438 -3.421 1.00 0.00 C ATOM 206 CG GLU A 142 12.997 -6.312 -3.601 1.00 0.00 C ATOM 207 CD GLU A 142 14.183 -6.824 -4.420 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.943 -7.620 -3.893 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.313 -6.410 -5.560 1.00 0.00 O ATOM 0 H GLU A 142 9.448 -6.549 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 142 10.889 -6.575 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.799 -7.616 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.367 -8.366 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.533 -5.464 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.339 -5.958 -2.629 1.00 0.00 H new ATOM 216 N ASP A 143 10.199 -9.094 -5.349 1.00 0.00 N ATOM 217 CA ASP A 143 9.431 -10.337 -5.638 1.00 0.00 C ATOM 218 C ASP A 143 9.356 -11.195 -4.373 1.00 0.00 C ATOM 219 O ASP A 143 10.172 -11.074 -3.481 1.00 0.00 O ATOM 220 CB ASP A 143 10.133 -11.125 -6.746 1.00 0.00 C ATOM 221 CG ASP A 143 9.681 -10.600 -8.110 1.00 0.00 C ATOM 222 OD1 ASP A 143 9.931 -9.439 -8.388 1.00 0.00 O ATOM 223 OD2 ASP A 143 9.094 -11.368 -8.854 1.00 0.00 O ATOM 0 H ASP A 143 10.992 -8.920 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 143 8.424 -10.075 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.214 -11.028 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 143 9.899 -12.186 -6.657 1.00 0.00 H new ATOM 228 N GLY A 144 8.385 -12.062 -4.289 1.00 0.00 N ATOM 229 CA GLY A 144 8.263 -12.926 -3.080 1.00 0.00 C ATOM 230 C GLY A 144 6.993 -12.560 -2.310 1.00 0.00 C ATOM 231 O GLY A 144 6.474 -13.346 -1.542 1.00 0.00 O ATOM 0 H GLY A 144 7.672 -12.210 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.232 -13.975 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.137 -12.799 -2.441 1.00 0.00 H new ATOM 235 N GLU A 145 6.489 -11.372 -2.505 1.00 0.00 N ATOM 236 CA GLU A 145 5.253 -10.961 -1.779 1.00 0.00 C ATOM 237 C GLU A 145 4.176 -10.559 -2.788 1.00 0.00 C ATOM 238 O GLU A 145 4.412 -10.518 -3.980 1.00 0.00 O ATOM 239 CB GLU A 145 5.568 -9.774 -0.866 1.00 0.00 C ATOM 240 CG GLU A 145 6.104 -10.288 0.472 1.00 0.00 C ATOM 241 CD GLU A 145 7.633 -10.311 0.435 1.00 0.00 C ATOM 242 OE1 GLU A 145 8.175 -10.757 -0.563 1.00 0.00 O ATOM 243 OE2 GLU A 145 8.235 -9.881 1.405 1.00 0.00 O ATOM 0 H GLU A 145 6.878 -10.670 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 145 4.892 -11.795 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.303 -9.123 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 145 4.670 -9.177 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 145 5.759 -9.648 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 145 5.719 -11.289 0.670 1.00 0.00 H new ATOM 250 N GLU A 146 2.994 -10.261 -2.322 1.00 0.00 N ATOM 251 CA GLU A 146 1.903 -9.862 -3.255 1.00 0.00 C ATOM 252 C GLU A 146 1.461 -8.429 -2.943 1.00 0.00 C ATOM 253 O GLU A 146 0.474 -8.207 -2.272 1.00 0.00 O ATOM 254 CB GLU A 146 0.713 -10.809 -3.085 1.00 0.00 C ATOM 255 CG GLU A 146 0.964 -12.093 -3.876 1.00 0.00 C ATOM 256 CD GLU A 146 -0.096 -12.236 -4.969 1.00 0.00 C ATOM 257 OE1 GLU A 146 -1.237 -12.503 -4.630 1.00 0.00 O ATOM 258 OE2 GLU A 146 0.251 -12.077 -6.129 1.00 0.00 O ATOM 0 H GLU A 146 2.737 -10.277 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 146 2.267 -9.915 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.568 -11.042 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.201 -10.328 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 146 1.959 -12.070 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.933 -12.955 -3.210 1.00 0.00 H new ATOM 265 N ALA A 147 2.184 -7.456 -3.425 1.00 0.00 N ATOM 266 CA ALA A 147 1.804 -6.041 -3.154 1.00 0.00 C ATOM 267 C ALA A 147 0.512 -5.707 -3.899 1.00 0.00 C ATOM 268 O ALA A 147 0.298 -6.136 -5.015 1.00 0.00 O ATOM 269 CB ALA A 147 2.923 -5.114 -3.628 1.00 0.00 C ATOM 0 H ALA A 147 3.021 -7.580 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 147 1.649 -5.905 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.646 -4.079 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.843 -5.352 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.079 -5.250 -4.698 1.00 0.00 H new ATOM 275 N ARG A 148 -0.350 -4.946 -3.285 1.00 0.00 N ATOM 276 CA ARG A 148 -1.630 -4.584 -3.950 1.00 0.00 C ATOM 277 C ARG A 148 -1.603 -3.102 -4.342 1.00 0.00 C ATOM 278 O ARG A 148 -1.429 -2.231 -3.513 1.00 0.00 O ATOM 279 CB ARG A 148 -2.783 -4.843 -2.978 1.00 0.00 C ATOM 280 CG ARG A 148 -2.753 -6.306 -2.529 1.00 0.00 C ATOM 281 CD ARG A 148 -4.151 -6.729 -2.073 1.00 0.00 C ATOM 282 NE ARG A 148 -4.950 -7.161 -3.254 1.00 0.00 N ATOM 283 CZ ARG A 148 -6.221 -6.872 -3.322 1.00 0.00 C ATOM 284 NH1 ARG A 148 -7.078 -7.524 -2.584 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.635 -5.932 -4.127 1.00 0.00 N ATOM 0 H ARG A 148 -0.222 -4.559 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.766 -5.186 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.699 -4.184 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.735 -4.618 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.418 -6.942 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -2.039 -6.433 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.079 -7.543 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.647 -5.900 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 148 -4.504 -7.682 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.754 -8.259 -1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -8.071 -7.299 -2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.965 -5.423 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.628 -5.707 -4.180 1.00 0.00 H new ATOM 299 N PHE A 149 -1.782 -2.811 -5.604 1.00 0.00 N ATOM 300 CA PHE A 149 -1.776 -1.389 -6.061 1.00 0.00 C ATOM 301 C PHE A 149 -3.224 -0.921 -6.233 1.00 0.00 C ATOM 302 O PHE A 149 -4.089 -1.694 -6.592 1.00 0.00 O ATOM 303 CB PHE A 149 -1.047 -1.288 -7.402 1.00 0.00 C ATOM 304 CG PHE A 149 0.394 -1.706 -7.228 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.713 -3.056 -7.038 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.410 -0.743 -7.260 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.049 -3.443 -6.878 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.746 -1.131 -7.099 1.00 0.00 C ATOM 309 CZ PHE A 149 3.065 -2.481 -6.909 1.00 0.00 C ATOM 0 H PHE A 149 -1.933 -3.500 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.267 -0.765 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.534 -1.924 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.097 -0.266 -7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.071 -3.798 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.164 0.298 -7.409 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.296 -4.484 -6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.530 -0.389 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 149 4.095 -2.780 -6.786 1.00 0.00 H new ATOM 319 N LEU A 150 -3.506 0.331 -5.981 1.00 0.00 N ATOM 320 CA LEU A 150 -4.911 0.808 -6.137 1.00 0.00 C ATOM 321 C LEU A 150 -5.061 1.576 -7.457 1.00 0.00 C ATOM 322 O LEU A 150 -4.101 2.110 -7.975 1.00 0.00 O ATOM 323 CB LEU A 150 -5.281 1.711 -4.959 1.00 0.00 C ATOM 324 CG LEU A 150 -4.852 1.047 -3.644 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.607 1.687 -2.483 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.171 -0.450 -3.684 1.00 0.00 C ATOM 0 H LEU A 150 -2.833 1.035 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.582 -0.051 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.794 2.680 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.356 1.894 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.779 1.184 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.303 1.216 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.379 2.752 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.679 1.550 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.863 -0.913 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.243 -0.590 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.634 -0.914 -4.511 1.00 0.00 H new ATOM 338 N PRO A 151 -6.267 1.587 -7.968 1.00 0.00 N ATOM 339 CA PRO A 151 -6.592 2.258 -9.241 1.00 0.00 C ATOM 340 C PRO A 151 -6.728 3.777 -9.067 1.00 0.00 C ATOM 341 O PRO A 151 -6.281 4.542 -9.898 1.00 0.00 O ATOM 342 CB PRO A 151 -7.937 1.639 -9.636 1.00 0.00 C ATOM 343 CG PRO A 151 -8.570 1.100 -8.330 1.00 0.00 C ATOM 344 CD PRO A 151 -7.421 0.928 -7.320 1.00 0.00 C ATOM 0 HA PRO A 151 -5.813 2.121 -9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.584 2.381 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -7.798 0.836 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.320 1.793 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.075 0.150 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.659 1.392 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.219 -0.125 -7.122 1.00 0.00 H new ATOM 352 N ARG A 152 -7.349 4.224 -8.010 1.00 0.00 N ATOM 353 CA ARG A 152 -7.514 5.694 -7.817 1.00 0.00 C ATOM 354 C ARG A 152 -6.166 6.393 -7.933 1.00 0.00 C ATOM 355 O ARG A 152 -6.036 7.435 -8.543 1.00 0.00 O ATOM 356 CB ARG A 152 -8.024 5.983 -6.408 1.00 0.00 C ATOM 357 CG ARG A 152 -9.251 5.145 -6.069 1.00 0.00 C ATOM 358 CD ARG A 152 -10.135 5.928 -5.089 1.00 0.00 C ATOM 359 NE ARG A 152 -11.546 5.921 -5.570 1.00 0.00 N ATOM 360 CZ ARG A 152 -12.178 7.047 -5.753 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.621 8.004 -6.442 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.369 7.216 -5.247 1.00 0.00 N ATOM 0 H ARG A 152 -7.747 3.640 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.212 6.050 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.233 5.779 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.271 7.041 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.809 4.911 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.948 4.196 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.077 5.482 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.776 6.953 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.017 5.036 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.690 7.872 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.116 8.884 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.805 6.468 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.864 8.097 -5.390 1.00 0.00 H new ATOM 376 N CYS A 153 -5.180 5.848 -7.289 1.00 0.00 N ATOM 377 CA CYS A 153 -3.840 6.495 -7.282 1.00 0.00 C ATOM 378 C CYS A 153 -2.765 5.575 -7.867 1.00 0.00 C ATOM 379 O CYS A 153 -2.008 5.966 -8.734 1.00 0.00 O ATOM 380 CB CYS A 153 -3.480 6.823 -5.831 1.00 0.00 C ATOM 381 SG CYS A 153 -3.974 5.437 -4.763 1.00 0.00 S ATOM 0 H CYS A 153 -5.242 4.976 -6.763 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.880 7.394 -7.897 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.409 7.002 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.984 7.737 -5.517 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.256 5.884 -3.575 1.00 0.00 H new ATOM 386 N GLY A 154 -2.667 4.369 -7.382 1.00 0.00 N ATOM 387 CA GLY A 154 -1.617 3.451 -7.891 1.00 0.00 C ATOM 388 C GLY A 154 -0.604 3.185 -6.772 1.00 0.00 C ATOM 389 O GLY A 154 0.360 2.470 -6.956 1.00 0.00 O ATOM 0 H GLY A 154 -3.269 3.982 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.064 2.515 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.118 3.891 -8.754 1.00 0.00 H new ATOM 393 N HIS A 155 -0.820 3.745 -5.604 1.00 0.00 N ATOM 394 CA HIS A 155 0.133 3.500 -4.483 1.00 0.00 C ATOM 395 C HIS A 155 0.228 1.989 -4.276 1.00 0.00 C ATOM 396 O HIS A 155 -0.761 1.328 -4.027 1.00 0.00 O ATOM 397 CB HIS A 155 -0.377 4.153 -3.189 1.00 0.00 C ATOM 398 CG HIS A 155 -0.219 5.654 -3.240 1.00 0.00 C ATOM 399 ND1 HIS A 155 0.806 6.460 -3.660 1.00 0.00 N flip ATOM 400 CD2 HIS A 155 -1.230 6.505 -2.804 1.00 0.00 C flip ATOM 401 CE1 HIS A 155 0.450 7.793 -3.493 1.00 0.00 C flip ATOM 402 NE2 HIS A 155 -0.783 7.766 -2.975 1.00 0.00 N flip ATOM 0 H HIS A 155 -1.608 4.354 -5.384 1.00 0.00 H new ATOM 0 HA HIS A 155 1.106 3.928 -4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.426 3.899 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.172 3.755 -2.336 1.00 0.00 H new ATOM 0 HD1 HIS A 155 1.695 6.132 -4.038 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -2.190 6.212 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 155 1.042 8.664 -3.731 1.00 0.00 H new ATOM 409 N GLY A 156 1.396 1.427 -4.396 1.00 0.00 N ATOM 410 CA GLY A 156 1.519 -0.047 -4.226 1.00 0.00 C ATOM 411 C GLY A 156 1.919 -0.389 -2.789 1.00 0.00 C ATOM 412 O GLY A 156 2.882 0.124 -2.255 1.00 0.00 O ATOM 0 H GLY A 156 2.265 1.919 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.572 -0.528 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.263 -0.438 -4.920 1.00 0.00 H new ATOM 416 N PHE A 157 1.183 -1.271 -2.171 1.00 0.00 N ATOM 417 CA PHE A 157 1.495 -1.686 -0.775 1.00 0.00 C ATOM 418 C PHE A 157 1.645 -3.202 -0.759 1.00 0.00 C ATOM 419 O PHE A 157 1.683 -3.837 -1.791 1.00 0.00 O ATOM 420 CB PHE A 157 0.348 -1.257 0.150 1.00 0.00 C ATOM 421 CG PHE A 157 0.161 0.233 0.039 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.687 0.757 -0.941 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.841 1.092 0.910 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.857 2.139 -1.050 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.672 2.476 0.800 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.178 3.000 -0.180 1.00 0.00 C ATOM 0 H PHE A 157 0.368 -1.728 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 157 2.416 -1.217 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.571 -1.774 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.572 -1.533 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.210 0.094 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.496 0.686 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.513 2.544 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.197 3.140 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.310 4.068 -0.265 1.00 0.00 H new ATOM 436 N HIS A 158 1.740 -3.792 0.392 1.00 0.00 N ATOM 437 CA HIS A 158 1.897 -5.270 0.451 1.00 0.00 C ATOM 438 C HIS A 158 0.534 -5.928 0.596 1.00 0.00 C ATOM 439 O HIS A 158 -0.410 -5.319 1.038 1.00 0.00 O ATOM 440 CB HIS A 158 2.751 -5.626 1.659 1.00 0.00 C ATOM 441 CG HIS A 158 4.195 -5.657 1.240 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.138 -4.859 1.848 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.857 -6.341 0.252 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.310 -5.063 1.226 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.197 -5.963 0.243 1.00 0.00 N ATOM 0 H HIS A 158 1.716 -3.319 1.295 1.00 0.00 H new ATOM 0 HA HIS A 158 2.372 -5.622 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.604 -4.894 2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.453 -6.595 2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.408 -7.061 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.231 -4.562 1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 158 6.933 -6.299 -0.378 1.00 0.00 H new ATOM 452 N ALA A 159 0.422 -7.177 0.256 1.00 0.00 N ATOM 453 CA ALA A 159 -0.886 -7.852 0.428 1.00 0.00 C ATOM 454 C ALA A 159 -1.058 -8.111 1.923 1.00 0.00 C ATOM 455 O ALA A 159 -2.155 -8.170 2.442 1.00 0.00 O ATOM 456 CB ALA A 159 -0.896 -9.179 -0.335 1.00 0.00 C ATOM 0 H ALA A 159 1.170 -7.753 -0.129 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.697 -7.235 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.861 -9.668 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.727 -8.990 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.107 -9.825 0.049 1.00 0.00 H new ATOM 462 N GLU A 160 0.043 -8.256 2.615 1.00 0.00 N ATOM 463 CA GLU A 160 -0.006 -8.501 4.083 1.00 0.00 C ATOM 464 C GLU A 160 -0.137 -7.169 4.827 1.00 0.00 C ATOM 465 O GLU A 160 -1.010 -7.001 5.651 1.00 0.00 O ATOM 466 CB GLU A 160 1.277 -9.208 4.524 1.00 0.00 C ATOM 467 CG GLU A 160 1.181 -10.697 4.186 1.00 0.00 C ATOM 468 CD GLU A 160 0.437 -11.428 5.306 1.00 0.00 C ATOM 469 OE1 GLU A 160 -0.360 -10.792 5.975 1.00 0.00 O ATOM 470 OE2 GLU A 160 0.678 -12.612 5.475 1.00 0.00 O ATOM 0 H GLU A 160 0.982 -8.214 2.219 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.867 -9.128 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.139 -8.766 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.428 -9.076 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.659 -10.833 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.179 -11.118 4.063 1.00 0.00 H new ATOM 477 N CYS A 161 0.723 -6.217 4.553 1.00 0.00 N ATOM 478 CA CYS A 161 0.622 -4.910 5.264 1.00 0.00 C ATOM 479 C CYS A 161 -0.683 -4.232 4.875 1.00 0.00 C ATOM 480 O CYS A 161 -1.378 -3.683 5.702 1.00 0.00 O ATOM 481 CB CYS A 161 1.793 -4.000 4.885 1.00 0.00 C ATOM 482 SG CYS A 161 3.329 -4.928 4.924 1.00 0.00 S ATOM 0 H CYS A 161 1.481 -6.290 3.875 1.00 0.00 H new ATOM 0 HA CYS A 161 0.650 -5.090 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.634 -3.585 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.849 -3.159 5.576 1.00 0.00 H new ATOM 0 HG CYS A 161 4.330 -4.118 4.746 1.00 0.00 H new ATOM 487 N VAL A 162 -1.020 -4.261 3.618 1.00 0.00 N ATOM 488 CA VAL A 162 -2.289 -3.613 3.178 1.00 0.00 C ATOM 489 C VAL A 162 -3.471 -4.248 3.922 1.00 0.00 C ATOM 490 O VAL A 162 -4.480 -3.615 4.159 1.00 0.00 O ATOM 491 CB VAL A 162 -2.472 -3.789 1.665 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.944 -5.214 1.361 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.518 -2.792 1.163 1.00 0.00 C ATOM 0 H VAL A 162 -0.476 -4.703 2.877 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.246 -2.548 3.406 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.521 -3.610 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.072 -5.333 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.202 -5.927 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.894 -5.397 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.651 -2.914 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.466 -2.974 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.183 -1.776 1.374 1.00 0.00 H new ATOM 503 N ASP A 163 -3.352 -5.496 4.293 1.00 0.00 N ATOM 504 CA ASP A 163 -4.466 -6.170 5.022 1.00 0.00 C ATOM 505 C ASP A 163 -4.464 -5.717 6.482 1.00 0.00 C ATOM 506 O ASP A 163 -5.487 -5.361 7.034 1.00 0.00 O ATOM 507 CB ASP A 163 -4.274 -7.687 4.955 1.00 0.00 C ATOM 508 CG ASP A 163 -4.964 -8.234 3.704 1.00 0.00 C ATOM 509 OD1 ASP A 163 -4.840 -7.611 2.662 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.606 -9.266 3.810 1.00 0.00 O ATOM 0 H ASP A 163 -2.531 -6.077 4.123 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.418 -5.905 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.211 -7.929 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.689 -8.157 5.847 1.00 0.00 H new ATOM 515 N MET A 164 -3.323 -5.717 7.112 1.00 0.00 N ATOM 516 CA MET A 164 -3.256 -5.273 8.530 1.00 0.00 C ATOM 517 C MET A 164 -3.662 -3.802 8.596 1.00 0.00 C ATOM 518 O MET A 164 -4.101 -3.311 9.616 1.00 0.00 O ATOM 519 CB MET A 164 -1.828 -5.438 9.054 1.00 0.00 C ATOM 520 CG MET A 164 -1.409 -6.904 8.943 1.00 0.00 C ATOM 521 SD MET A 164 0.175 -7.144 9.785 1.00 0.00 S ATOM 522 CE MET A 164 -0.493 -7.511 11.426 1.00 0.00 C ATOM 0 H MET A 164 -2.433 -6.006 6.705 1.00 0.00 H new ATOM 0 HA MET A 164 -3.928 -5.874 9.143 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.145 -4.809 8.483 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.770 -5.110 10.092 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.170 -7.545 9.387 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.323 -7.190 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.327 -7.696 12.120 1.00 0.00 H new ATOM 0 HE2 MET A 164 -1.081 -6.663 11.777 1.00 0.00 H new ATOM 0 HE3 MET A 164 -1.128 -8.395 11.371 1.00 0.00 H new ATOM 532 N TRP A 165 -3.520 -3.099 7.506 1.00 0.00 N ATOM 533 CA TRP A 165 -3.899 -1.662 7.490 1.00 0.00 C ATOM 534 C TRP A 165 -5.396 -1.545 7.245 1.00 0.00 C ATOM 535 O TRP A 165 -6.014 -0.551 7.571 1.00 0.00 O ATOM 536 CB TRP A 165 -3.158 -0.947 6.365 1.00 0.00 C ATOM 537 CG TRP A 165 -3.627 0.468 6.291 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.615 0.927 5.481 1.00 0.00 C ATOM 539 CD2 TRP A 165 -3.147 1.619 7.045 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.753 2.294 5.682 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.876 2.760 6.639 1.00 0.00 C ATOM 542 CE3 TRP A 165 -2.156 1.780 8.030 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.629 4.015 7.188 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.907 3.044 8.588 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.642 4.160 8.167 1.00 0.00 C ATOM 0 H TRP A 165 -3.157 -3.461 6.624 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.637 -1.209 8.446 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.083 -0.978 6.544 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.338 -1.452 5.416 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.196 0.329 4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.421 2.881 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.583 0.926 8.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -4.197 4.873 6.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -1.145 3.157 9.345 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.446 5.131 8.598 1.00 0.00 H new ATOM 556 N LEU A 166 -5.991 -2.558 6.680 1.00 0.00 N ATOM 557 CA LEU A 166 -7.447 -2.500 6.430 1.00 0.00 C ATOM 558 C LEU A 166 -8.103 -2.072 7.731 1.00 0.00 C ATOM 559 O LEU A 166 -8.777 -1.072 7.783 1.00 0.00 O ATOM 560 CB LEU A 166 -7.956 -3.882 6.004 1.00 0.00 C ATOM 561 CG LEU A 166 -7.776 -4.054 4.494 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.461 -5.344 4.041 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.405 -2.864 3.765 1.00 0.00 C ATOM 0 H LEU A 166 -5.529 -3.418 6.384 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.683 -1.797 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.410 -4.661 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.008 -3.991 6.270 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.712 -4.104 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -8.332 -5.466 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -8.015 -6.194 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.524 -5.293 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.277 -2.987 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.468 -2.814 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -7.919 -1.943 4.086 1.00 0.00 H new ATOM 575 N GLY A 167 -7.858 -2.817 8.779 1.00 0.00 N ATOM 576 CA GLY A 167 -8.407 -2.482 10.140 1.00 0.00 C ATOM 577 C GLY A 167 -9.588 -1.508 10.044 1.00 0.00 C ATOM 578 O GLY A 167 -9.523 -0.406 10.552 1.00 0.00 O ATOM 0 H GLY A 167 -7.289 -3.663 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -8.727 -3.396 10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.620 -2.043 10.753 1.00 0.00 H new ATOM 582 N SER A 168 -10.647 -1.901 9.384 1.00 0.00 N ATOM 583 CA SER A 168 -11.838 -1.004 9.233 1.00 0.00 C ATOM 584 C SER A 168 -11.667 -0.143 7.978 1.00 0.00 C ATOM 585 O SER A 168 -12.537 -0.096 7.130 1.00 0.00 O ATOM 586 CB SER A 168 -11.992 -0.102 10.460 1.00 0.00 C ATOM 587 OG SER A 168 -11.703 -0.853 11.633 1.00 0.00 O ATOM 0 H SER A 168 -10.741 -2.814 8.938 1.00 0.00 H new ATOM 0 HA SER A 168 -12.734 -1.619 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.318 0.752 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 168 -13.006 0.295 10.509 1.00 0.00 H new ATOM 0 HG SER A 168 -10.776 -0.690 11.906 1.00 0.00 H new ATOM 593 N HIS A 169 -10.555 0.531 7.840 1.00 0.00 N ATOM 594 CA HIS A 169 -10.354 1.367 6.623 1.00 0.00 C ATOM 595 C HIS A 169 -10.120 0.448 5.421 1.00 0.00 C ATOM 596 O HIS A 169 -9.097 -0.197 5.307 1.00 0.00 O ATOM 597 CB HIS A 169 -9.125 2.275 6.804 1.00 0.00 C ATOM 598 CG HIS A 169 -9.407 3.294 7.876 1.00 0.00 C ATOM 599 ND1 HIS A 169 -9.661 2.937 9.190 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.479 4.665 7.839 1.00 0.00 C ATOM 601 CE1 HIS A 169 -9.873 4.071 9.884 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.774 5.153 9.109 1.00 0.00 N ATOM 0 H HIS A 169 -9.786 0.538 8.510 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.237 1.985 6.462 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.255 1.677 7.075 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.888 2.775 5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -9.329 5.272 6.958 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -10.096 4.101 10.940 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.890 6.127 9.387 1.00 0.00 H new ATOM 610 N SER A 170 -11.059 0.399 4.516 1.00 0.00 N ATOM 611 CA SER A 170 -10.894 -0.459 3.309 1.00 0.00 C ATOM 612 C SER A 170 -10.448 0.436 2.160 1.00 0.00 C ATOM 613 O SER A 170 -11.061 0.483 1.112 1.00 0.00 O ATOM 614 CB SER A 170 -12.226 -1.123 2.958 1.00 0.00 C ATOM 615 OG SER A 170 -12.737 -1.786 4.106 1.00 0.00 O ATOM 0 H SER A 170 -11.936 0.918 4.561 1.00 0.00 H new ATOM 0 HA SER A 170 -10.156 -1.240 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.938 -0.375 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.087 -1.835 2.144 1.00 0.00 H new ATOM 0 HG SER A 170 -13.592 -2.211 3.885 1.00 0.00 H new ATOM 621 N THR A 171 -9.398 1.175 2.371 1.00 0.00 N ATOM 622 CA THR A 171 -8.915 2.107 1.325 1.00 0.00 C ATOM 623 C THR A 171 -7.387 2.157 1.331 1.00 0.00 C ATOM 624 O THR A 171 -6.724 1.450 2.061 1.00 0.00 O ATOM 625 CB THR A 171 -9.466 3.508 1.603 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.318 3.807 2.984 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.946 3.562 1.224 1.00 0.00 C ATOM 0 H THR A 171 -8.851 1.171 3.232 1.00 0.00 H new ATOM 0 HA THR A 171 -9.258 1.758 0.351 1.00 0.00 H new ATOM 0 HB THR A 171 -8.916 4.239 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.669 4.704 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.336 4.560 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.059 3.333 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.500 2.832 1.814 1.00 0.00 H new ATOM 635 N CYS A 172 -6.842 3.003 0.512 1.00 0.00 N ATOM 636 CA CYS A 172 -5.365 3.156 0.419 1.00 0.00 C ATOM 637 C CYS A 172 -4.870 3.795 1.726 1.00 0.00 C ATOM 638 O CYS A 172 -5.449 4.753 2.194 1.00 0.00 O ATOM 639 CB CYS A 172 -5.120 4.104 -0.751 1.00 0.00 C ATOM 640 SG CYS A 172 -3.414 4.064 -1.323 1.00 0.00 S ATOM 0 H CYS A 172 -7.370 3.612 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.848 2.208 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.783 3.838 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.376 5.120 -0.451 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.914 2.882 -1.116 1.00 0.00 H new ATOM 645 N PRO A 173 -3.835 3.229 2.300 1.00 0.00 N ATOM 646 CA PRO A 173 -3.283 3.716 3.582 1.00 0.00 C ATOM 647 C PRO A 173 -2.506 5.018 3.462 1.00 0.00 C ATOM 648 O PRO A 173 -2.407 5.762 4.418 1.00 0.00 O ATOM 649 CB PRO A 173 -2.335 2.605 4.018 1.00 0.00 C ATOM 650 CG PRO A 173 -1.977 1.809 2.749 1.00 0.00 C ATOM 651 CD PRO A 173 -3.111 2.064 1.739 1.00 0.00 C ATOM 0 HA PRO A 173 -4.090 3.931 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.439 3.019 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.808 1.961 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -1.018 2.133 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.887 0.746 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.719 2.278 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.764 1.196 1.644 1.00 0.00 H new ATOM 659 N LEU A 174 -1.907 5.298 2.351 1.00 0.00 N ATOM 660 CA LEU A 174 -1.112 6.543 2.305 1.00 0.00 C ATOM 661 C LEU A 174 -1.960 7.737 1.863 1.00 0.00 C ATOM 662 O LEU A 174 -1.823 8.823 2.389 1.00 0.00 O ATOM 663 CB LEU A 174 0.067 6.367 1.346 1.00 0.00 C ATOM 664 CG LEU A 174 1.067 7.507 1.548 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.093 7.104 2.609 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.785 7.794 0.228 1.00 0.00 C ATOM 0 H LEU A 174 -1.929 4.740 1.497 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.746 6.744 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.553 5.408 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.288 6.359 0.315 1.00 0.00 H new ATOM 0 HG LEU A 174 0.537 8.401 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.806 7.916 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.582 6.898 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.623 6.210 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.498 8.606 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.315 6.900 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.055 8.081 -0.529 1.00 0.00 H new ATOM 678 N CYS A 175 -2.833 7.565 0.915 1.00 0.00 N ATOM 679 CA CYS A 175 -3.661 8.721 0.483 1.00 0.00 C ATOM 680 C CYS A 175 -5.099 8.537 0.998 1.00 0.00 C ATOM 681 O CYS A 175 -5.678 9.459 1.531 1.00 0.00 O ATOM 682 CB CYS A 175 -3.604 8.848 -1.041 1.00 0.00 C ATOM 683 SG CYS A 175 -4.612 7.570 -1.804 1.00 0.00 S ATOM 0 H CYS A 175 -3.008 6.687 0.426 1.00 0.00 H new ATOM 0 HA CYS A 175 -3.274 9.648 0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.959 9.833 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.573 8.761 -1.383 1.00 0.00 H new ATOM 0 HG CYS A 175 -4.066 6.408 -1.601 1.00 0.00 H new ATOM 688 N ARG A 176 -5.651 7.346 0.855 1.00 0.00 N ATOM 689 CA ARG A 176 -7.037 7.028 1.341 1.00 0.00 C ATOM 690 C ARG A 176 -8.007 7.031 0.174 1.00 0.00 C ATOM 691 O ARG A 176 -9.157 7.405 0.294 1.00 0.00 O ATOM 692 CB ARG A 176 -7.500 7.996 2.433 1.00 0.00 C ATOM 693 CG ARG A 176 -6.522 7.921 3.610 1.00 0.00 C ATOM 694 CD ARG A 176 -7.140 8.595 4.835 1.00 0.00 C ATOM 695 NE ARG A 176 -6.447 8.121 6.066 1.00 0.00 N ATOM 696 CZ ARG A 176 -5.557 8.877 6.648 1.00 0.00 C ATOM 697 NH1 ARG A 176 -5.850 10.112 6.954 1.00 0.00 N ATOM 698 NH2 ARG A 176 -4.375 8.399 6.925 1.00 0.00 N ATOM 0 H ARG A 176 -5.180 6.560 0.407 1.00 0.00 H new ATOM 0 HA ARG A 176 -7.014 6.034 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.542 9.013 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.507 7.739 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -6.287 6.881 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.584 8.410 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.053 9.678 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -8.204 8.364 4.892 1.00 0.00 H new ATOM 0 HE ARG A 176 -6.669 7.204 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.774 10.485 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -5.155 10.703 7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -4.146 7.434 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -3.680 8.990 7.380 1.00 0.00 H new ATOM 712 N LEU A 177 -7.548 6.570 -0.951 1.00 0.00 N ATOM 713 CA LEU A 177 -8.414 6.480 -2.138 1.00 0.00 C ATOM 714 C LEU A 177 -8.948 5.046 -2.212 1.00 0.00 C ATOM 715 O LEU A 177 -8.271 4.150 -2.676 1.00 0.00 O ATOM 716 CB LEU A 177 -7.584 6.782 -3.382 1.00 0.00 C ATOM 717 CG LEU A 177 -7.128 8.243 -3.371 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.938 8.409 -4.315 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.272 9.135 -3.854 1.00 0.00 C ATOM 0 H LEU A 177 -6.591 6.248 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.238 7.191 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.717 6.123 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.173 6.584 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.840 8.526 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.611 9.449 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.119 7.769 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.233 8.127 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.949 10.176 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.553 8.849 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -9.130 9.017 -3.192 1.00 0.00 H new