USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=11 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 -97:sc= 0.38 USER MOD Set 1.2: A 169 HIS : no HD1:sc= -0.269 X(o=0.11,f=0.19) USER MOD Set 2.1: A 134 CYS SG : rot 100:sc= 0.838 USER MOD Set 2.2: A 137 CYS SG : rot -59:sc= -3.63! USER MOD Set 2.3: A 158 HIS : no HE2:sc= -2.33 K(o=-6.4,f=-8.7!) USER MOD Set 2.4: A 161 CYS SG : rot -172:sc= -1.24! USER MOD Set 3.1: A 153 CYS SG : rot -153:sc= -0.562 USER MOD Set 3.2: A 155 HIS : no HE2:sc= -1.43 X(o=-18,f=-18) USER MOD Set 3.3: A 172 CYS SG : rot 39:sc= -7.43! USER MOD Set 3.4: A 175 CYS SG : rot -61:sc= -8.61! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 6.787 2.837 -1.817 1.00 0.00 N ATOM 78 CA GLU A 133 7.144 2.355 -0.452 1.00 0.00 C ATOM 79 C GLU A 133 5.896 1.858 0.275 1.00 0.00 C ATOM 80 O GLU A 133 4.798 2.329 0.053 1.00 0.00 O ATOM 81 CB GLU A 133 7.770 3.495 0.354 1.00 0.00 C ATOM 82 CG GLU A 133 9.288 3.472 0.178 1.00 0.00 C ATOM 83 CD GLU A 133 9.671 4.262 -1.075 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.307 3.830 -2.157 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.320 5.285 -0.931 1.00 0.00 O ATOM 0 HA GLU A 133 7.857 1.536 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.369 4.452 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.514 3.392 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.772 3.903 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.639 2.444 0.093 1.00 0.00 H new ATOM 92 N CYS A 134 6.069 0.913 1.152 1.00 0.00 N ATOM 93 CA CYS A 134 4.919 0.371 1.922 1.00 0.00 C ATOM 94 C CYS A 134 4.623 1.316 3.086 1.00 0.00 C ATOM 95 O CYS A 134 5.393 1.426 4.019 1.00 0.00 O ATOM 96 CB CYS A 134 5.307 -1.006 2.459 1.00 0.00 C ATOM 97 SG CYS A 134 3.858 -1.898 3.082 1.00 0.00 S ATOM 0 H CYS A 134 6.970 0.488 1.371 1.00 0.00 H new ATOM 0 HA CYS A 134 4.035 0.284 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.783 -1.587 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.040 -0.894 3.258 1.00 0.00 H new ATOM 0 HG CYS A 134 3.457 -2.752 2.188 1.00 0.00 H new ATOM 102 N ALA A 135 3.522 2.009 3.041 1.00 0.00 N ATOM 103 CA ALA A 135 3.197 2.950 4.148 1.00 0.00 C ATOM 104 C ALA A 135 2.950 2.159 5.434 1.00 0.00 C ATOM 105 O ALA A 135 2.809 2.722 6.500 1.00 0.00 O ATOM 106 CB ALA A 135 1.940 3.744 3.789 1.00 0.00 C ATOM 0 H ALA A 135 2.834 1.966 2.289 1.00 0.00 H new ATOM 0 HA ALA A 135 4.030 3.636 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.701 4.433 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.115 4.308 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.107 3.058 3.639 1.00 0.00 H new ATOM 112 N VAL A 136 2.883 0.858 5.344 1.00 0.00 N ATOM 113 CA VAL A 136 2.631 0.045 6.564 1.00 0.00 C ATOM 114 C VAL A 136 3.945 -0.521 7.121 1.00 0.00 C ATOM 115 O VAL A 136 4.365 -0.161 8.203 1.00 0.00 O ATOM 116 CB VAL A 136 1.692 -1.102 6.213 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.503 -1.999 7.438 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.337 -0.536 5.781 1.00 0.00 C ATOM 0 H VAL A 136 2.992 0.326 4.480 1.00 0.00 H new ATOM 0 HA VAL A 136 2.179 0.681 7.325 1.00 0.00 H new ATOM 0 HB VAL A 136 2.119 -1.686 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.831 -2.820 7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.468 -2.401 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.075 -1.416 8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.336 -1.356 5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.090 0.047 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.471 0.104 4.909 1.00 0.00 H new ATOM 128 N CYS A 137 4.600 -1.409 6.409 1.00 0.00 N ATOM 129 CA CYS A 137 5.873 -1.971 6.951 1.00 0.00 C ATOM 130 C CYS A 137 7.070 -1.181 6.412 1.00 0.00 C ATOM 131 O CYS A 137 8.175 -1.301 6.903 1.00 0.00 O ATOM 132 CB CYS A 137 6.017 -3.460 6.592 1.00 0.00 C ATOM 133 SG CYS A 137 6.577 -3.661 4.881 1.00 0.00 S ATOM 0 H CYS A 137 4.314 -1.761 5.495 1.00 0.00 H new ATOM 0 HA CYS A 137 5.847 -1.884 8.037 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.727 -3.935 7.269 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.061 -3.965 6.728 1.00 0.00 H new ATOM 0 HG CYS A 137 5.728 -3.093 4.077 1.00 0.00 H new ATOM 138 N LEU A 138 6.862 -0.375 5.406 1.00 0.00 N ATOM 139 CA LEU A 138 7.991 0.419 4.838 1.00 0.00 C ATOM 140 C LEU A 138 9.088 -0.534 4.365 1.00 0.00 C ATOM 141 O LEU A 138 10.263 -0.278 4.532 1.00 0.00 O ATOM 142 CB LEU A 138 8.555 1.350 5.915 1.00 0.00 C ATOM 143 CG LEU A 138 7.407 2.002 6.688 1.00 0.00 C ATOM 144 CD1 LEU A 138 7.910 2.458 8.058 1.00 0.00 C ATOM 145 CD2 LEU A 138 6.890 3.213 5.907 1.00 0.00 C ATOM 0 H LEU A 138 5.960 -0.232 4.953 1.00 0.00 H new ATOM 0 HA LEU A 138 7.633 1.013 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.192 0.788 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.178 2.117 5.456 1.00 0.00 H new ATOM 0 HG LEU A 138 6.600 1.281 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.093 2.923 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.280 1.597 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.716 3.180 7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.072 3.678 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.697 3.934 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.532 2.890 4.929 1.00 0.00 H new ATOM 157 N ALA A 139 8.711 -1.634 3.774 1.00 0.00 N ATOM 158 CA ALA A 139 9.730 -2.607 3.291 1.00 0.00 C ATOM 159 C ALA A 139 9.897 -2.461 1.778 1.00 0.00 C ATOM 160 O ALA A 139 8.945 -2.535 1.026 1.00 0.00 O ATOM 161 CB ALA A 139 9.270 -4.029 3.618 1.00 0.00 C ATOM 0 H ALA A 139 7.741 -1.901 3.605 1.00 0.00 H new ATOM 0 HA ALA A 139 10.683 -2.410 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.015 -4.742 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.150 -4.134 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.317 -4.226 3.126 1.00 0.00 H new ATOM 167 N GLU A 140 11.103 -2.254 1.323 1.00 0.00 N ATOM 168 CA GLU A 140 11.333 -2.103 -0.140 1.00 0.00 C ATOM 169 C GLU A 140 10.564 -3.193 -0.890 1.00 0.00 C ATOM 170 O GLU A 140 10.842 -4.367 -0.755 1.00 0.00 O ATOM 171 CB GLU A 140 12.827 -2.239 -0.438 1.00 0.00 C ATOM 172 CG GLU A 140 13.423 -0.854 -0.701 1.00 0.00 C ATOM 173 CD GLU A 140 14.717 -1.000 -1.504 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.512 -1.858 -1.158 1.00 0.00 O ATOM 175 OE2 GLU A 140 14.890 -0.252 -2.452 1.00 0.00 O ATOM 0 H GLU A 140 11.939 -2.183 1.903 1.00 0.00 H new ATOM 0 HA GLU A 140 10.985 -1.122 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.335 -2.712 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.979 -2.883 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.710 -0.238 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.623 -0.347 0.243 1.00 0.00 H new ATOM 182 N LEU A 141 9.597 -2.812 -1.679 1.00 0.00 N ATOM 183 CA LEU A 141 8.810 -3.826 -2.435 1.00 0.00 C ATOM 184 C LEU A 141 9.749 -4.642 -3.327 1.00 0.00 C ATOM 185 O LEU A 141 10.114 -4.224 -4.407 1.00 0.00 O ATOM 186 CB LEU A 141 7.770 -3.117 -3.304 1.00 0.00 C ATOM 187 CG LEU A 141 6.574 -2.713 -2.440 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.844 -1.538 -3.093 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.616 -3.899 -2.309 1.00 0.00 C ATOM 0 H LEU A 141 9.318 -1.843 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 141 8.307 -4.492 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.210 -2.235 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.444 -3.775 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 141 6.925 -2.417 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 141 4.992 -1.251 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.526 -0.693 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.493 -1.832 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.764 -3.612 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.266 -4.195 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.135 -4.736 -1.842 1.00 0.00 H new ATOM 201 N GLU A 142 10.143 -5.805 -2.881 1.00 0.00 N ATOM 202 CA GLU A 142 11.057 -6.646 -3.704 1.00 0.00 C ATOM 203 C GLU A 142 10.335 -7.931 -4.116 1.00 0.00 C ATOM 204 O GLU A 142 9.334 -8.305 -3.538 1.00 0.00 O ATOM 205 CB GLU A 142 12.301 -7.000 -2.887 1.00 0.00 C ATOM 206 CG GLU A 142 13.203 -5.769 -2.770 1.00 0.00 C ATOM 207 CD GLU A 142 13.951 -5.807 -1.435 1.00 0.00 C ATOM 208 OE1 GLU A 142 13.316 -5.588 -0.416 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.144 -6.055 -1.455 1.00 0.00 O ATOM 0 H GLU A 142 9.872 -6.208 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 142 11.354 -6.093 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 142 12.011 -7.347 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.842 -7.817 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.914 -5.746 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.606 -4.860 -2.838 1.00 0.00 H new ATOM 216 N ASP A 143 10.835 -8.610 -5.113 1.00 0.00 N ATOM 217 CA ASP A 143 10.177 -9.869 -5.562 1.00 0.00 C ATOM 218 C ASP A 143 10.060 -10.836 -4.383 1.00 0.00 C ATOM 219 O ASP A 143 10.896 -10.860 -3.502 1.00 0.00 O ATOM 220 CB ASP A 143 11.013 -10.513 -6.668 1.00 0.00 C ATOM 221 CG ASP A 143 11.498 -9.433 -7.636 1.00 0.00 C ATOM 222 OD1 ASP A 143 12.561 -8.884 -7.396 1.00 0.00 O ATOM 223 OD2 ASP A 143 10.799 -9.172 -8.601 1.00 0.00 O ATOM 0 H ASP A 143 11.671 -8.347 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 143 9.181 -9.641 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.865 -11.038 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.419 -11.255 -7.202 1.00 0.00 H new ATOM 228 N GLY A 144 9.029 -11.636 -4.360 1.00 0.00 N ATOM 229 CA GLY A 144 8.859 -12.603 -3.239 1.00 0.00 C ATOM 230 C GLY A 144 7.673 -12.179 -2.370 1.00 0.00 C ATOM 231 O GLY A 144 7.411 -12.760 -1.336 1.00 0.00 O ATOM 0 H GLY A 144 8.297 -11.662 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.694 -13.606 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.768 -12.642 -2.638 1.00 0.00 H new ATOM 235 N GLU A 145 6.955 -11.168 -2.777 1.00 0.00 N ATOM 236 CA GLU A 145 5.790 -10.709 -1.969 1.00 0.00 C ATOM 237 C GLU A 145 4.587 -10.472 -2.886 1.00 0.00 C ATOM 238 O GLU A 145 4.701 -10.494 -4.096 1.00 0.00 O ATOM 239 CB GLU A 145 6.153 -9.405 -1.256 1.00 0.00 C ATOM 240 CG GLU A 145 7.010 -9.718 -0.027 1.00 0.00 C ATOM 241 CD GLU A 145 7.993 -8.571 0.219 1.00 0.00 C ATOM 242 OE1 GLU A 145 8.657 -8.174 -0.724 1.00 0.00 O ATOM 243 OE2 GLU A 145 8.065 -8.110 1.346 1.00 0.00 O ATOM 0 H GLU A 145 7.125 -10.640 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 145 5.536 -11.471 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.696 -8.746 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.247 -8.877 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.373 -9.858 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.554 -10.650 -0.178 1.00 0.00 H new ATOM 250 N GLU A 146 3.434 -10.243 -2.317 1.00 0.00 N ATOM 251 CA GLU A 146 2.224 -10.001 -3.152 1.00 0.00 C ATOM 252 C GLU A 146 1.689 -8.596 -2.867 1.00 0.00 C ATOM 253 O GLU A 146 0.747 -8.419 -2.121 1.00 0.00 O ATOM 254 CB GLU A 146 1.149 -11.036 -2.808 1.00 0.00 C ATOM 255 CG GLU A 146 1.637 -12.433 -3.197 1.00 0.00 C ATOM 256 CD GLU A 146 0.981 -13.475 -2.290 1.00 0.00 C ATOM 257 OE1 GLU A 146 0.512 -13.097 -1.229 1.00 0.00 O ATOM 258 OE2 GLU A 146 0.958 -14.634 -2.671 1.00 0.00 O ATOM 0 H GLU A 146 3.279 -10.213 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 146 2.484 -10.088 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.925 -11.002 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.224 -10.803 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 146 1.393 -12.638 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.722 -12.489 -3.107 1.00 0.00 H new ATOM 265 N ALA A 147 2.285 -7.594 -3.451 1.00 0.00 N ATOM 266 CA ALA A 147 1.814 -6.201 -3.210 1.00 0.00 C ATOM 267 C ALA A 147 0.534 -5.942 -4.006 1.00 0.00 C ATOM 268 O ALA A 147 0.321 -6.505 -5.061 1.00 0.00 O ATOM 269 CB ALA A 147 2.899 -5.219 -3.657 1.00 0.00 C ATOM 0 H ALA A 147 3.079 -7.679 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 147 1.609 -6.066 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.560 -4.198 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.811 -5.400 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.101 -5.358 -4.719 1.00 0.00 H new ATOM 275 N ARG A 148 -0.322 -5.095 -3.503 1.00 0.00 N ATOM 276 CA ARG A 148 -1.591 -4.798 -4.222 1.00 0.00 C ATOM 277 C ARG A 148 -1.606 -3.325 -4.650 1.00 0.00 C ATOM 278 O ARG A 148 -1.492 -2.431 -3.836 1.00 0.00 O ATOM 279 CB ARG A 148 -2.767 -5.076 -3.282 1.00 0.00 C ATOM 280 CG ARG A 148 -2.671 -6.508 -2.753 1.00 0.00 C ATOM 281 CD ARG A 148 -4.042 -6.958 -2.247 1.00 0.00 C ATOM 282 NE ARG A 148 -4.244 -8.398 -2.573 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.346 -8.998 -2.215 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.493 -8.386 -2.338 1.00 0.00 N ATOM 285 NH2 ARG A 148 -5.302 -10.210 -1.733 1.00 0.00 N ATOM 0 H ARG A 148 -0.196 -4.595 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.672 -5.426 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.758 -4.369 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.710 -4.935 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.326 -7.176 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.939 -6.561 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.112 -6.805 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.826 -6.357 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.522 -8.914 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.528 -7.439 -2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.354 -8.855 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -4.406 -10.688 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.163 -10.679 -1.453 1.00 0.00 H new ATOM 299 N PHE A 149 -1.752 -3.069 -5.923 1.00 0.00 N ATOM 300 CA PHE A 149 -1.781 -1.657 -6.410 1.00 0.00 C ATOM 301 C PHE A 149 -3.232 -1.163 -6.422 1.00 0.00 C ATOM 302 O PHE A 149 -4.149 -1.927 -6.650 1.00 0.00 O ATOM 303 CB PHE A 149 -1.208 -1.594 -7.828 1.00 0.00 C ATOM 304 CG PHE A 149 0.237 -2.029 -7.808 1.00 0.00 C ATOM 305 CD1 PHE A 149 1.214 -1.190 -7.257 1.00 0.00 C ATOM 306 CD2 PHE A 149 0.601 -3.270 -8.342 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.554 -1.593 -7.239 1.00 0.00 C ATOM 308 CE2 PHE A 149 1.942 -3.675 -8.324 1.00 0.00 C ATOM 309 CZ PHE A 149 2.918 -2.836 -7.772 1.00 0.00 C ATOM 0 H PHE A 149 -1.853 -3.778 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.183 -1.027 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.783 -2.238 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.288 -0.580 -8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.933 -0.232 -6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -0.152 -3.916 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 149 3.307 -0.946 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 149 2.223 -4.633 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.952 -3.148 -7.757 1.00 0.00 H new ATOM 319 N LEU A 150 -3.457 0.101 -6.171 1.00 0.00 N ATOM 320 CA LEU A 150 -4.861 0.610 -6.164 1.00 0.00 C ATOM 321 C LEU A 150 -5.178 1.308 -7.494 1.00 0.00 C ATOM 322 O LEU A 150 -4.287 1.701 -8.216 1.00 0.00 O ATOM 323 CB LEU A 150 -5.035 1.594 -5.010 1.00 0.00 C ATOM 324 CG LEU A 150 -4.453 0.982 -3.737 1.00 0.00 C ATOM 325 CD1 LEU A 150 -4.760 1.894 -2.553 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.081 -0.394 -3.499 1.00 0.00 C ATOM 0 H LEU A 150 -2.738 0.796 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.546 -0.228 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.533 2.534 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.091 1.823 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.374 0.874 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.346 1.460 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -4.314 2.874 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.840 2.000 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.666 -0.831 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.160 -0.287 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.864 -1.044 -4.346 1.00 0.00 H new ATOM 338 N PRO A 151 -6.451 1.423 -7.779 1.00 0.00 N ATOM 339 CA PRO A 151 -6.939 2.052 -9.022 1.00 0.00 C ATOM 340 C PRO A 151 -6.917 3.585 -8.930 1.00 0.00 C ATOM 341 O PRO A 151 -6.487 4.260 -9.844 1.00 0.00 O ATOM 342 CB PRO A 151 -8.379 1.546 -9.134 1.00 0.00 C ATOM 343 CG PRO A 151 -8.815 1.145 -7.705 1.00 0.00 C ATOM 344 CD PRO A 151 -7.525 0.932 -6.892 1.00 0.00 C ATOM 0 HA PRO A 151 -6.320 1.801 -9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.032 2.320 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.440 0.694 -9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.431 1.924 -7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.415 0.235 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.550 1.486 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.383 -0.119 -6.639 1.00 0.00 H new ATOM 352 N ARG A 152 -7.394 4.143 -7.849 1.00 0.00 N ATOM 353 CA ARG A 152 -7.414 5.631 -7.732 1.00 0.00 C ATOM 354 C ARG A 152 -6.015 6.204 -7.921 1.00 0.00 C ATOM 355 O ARG A 152 -5.817 7.196 -8.593 1.00 0.00 O ATOM 356 CB ARG A 152 -7.855 6.042 -6.330 1.00 0.00 C ATOM 357 CG ARG A 152 -9.141 5.336 -5.916 1.00 0.00 C ATOM 358 CD ARG A 152 -9.926 6.246 -4.964 1.00 0.00 C ATOM 359 NE ARG A 152 -11.341 6.350 -5.418 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.728 7.380 -6.120 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.544 8.587 -5.661 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.300 7.203 -7.279 1.00 0.00 N ATOM 0 H ARG A 152 -7.768 3.637 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.098 6.005 -8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.065 5.808 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.005 7.121 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.742 5.103 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.910 4.389 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.888 5.847 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.470 7.236 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.008 5.616 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -11.098 8.725 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.846 9.393 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -12.445 6.259 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -12.602 8.009 -7.827 1.00 0.00 H new ATOM 376 N CYS A 153 -5.054 5.616 -7.274 1.00 0.00 N ATOM 377 CA CYS A 153 -3.669 6.156 -7.347 1.00 0.00 C ATOM 378 C CYS A 153 -2.691 5.127 -7.914 1.00 0.00 C ATOM 379 O CYS A 153 -1.928 5.418 -8.814 1.00 0.00 O ATOM 380 CB CYS A 153 -3.231 6.533 -5.929 1.00 0.00 C ATOM 381 SG CYS A 153 -3.780 5.249 -4.766 1.00 0.00 S ATOM 0 H CYS A 153 -5.166 4.783 -6.696 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.664 7.022 -8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.147 6.638 -5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.655 7.497 -5.650 1.00 0.00 H new ATOM 0 HG CYS A 153 -3.935 5.771 -3.585 1.00 0.00 H new ATOM 386 N GLY A 154 -2.679 3.942 -7.379 1.00 0.00 N ATOM 387 CA GLY A 154 -1.719 2.921 -7.870 1.00 0.00 C ATOM 388 C GLY A 154 -0.665 2.676 -6.787 1.00 0.00 C ATOM 389 O GLY A 154 0.209 1.846 -6.939 1.00 0.00 O ATOM 0 H GLY A 154 -3.292 3.636 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.241 1.994 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.243 3.261 -8.790 1.00 0.00 H new ATOM 393 N HIS A 155 -0.747 3.383 -5.684 1.00 0.00 N ATOM 394 CA HIS A 155 0.251 3.162 -4.599 1.00 0.00 C ATOM 395 C HIS A 155 0.328 1.657 -4.351 1.00 0.00 C ATOM 396 O HIS A 155 -0.658 1.023 -4.031 1.00 0.00 O ATOM 397 CB HIS A 155 -0.191 3.869 -3.309 1.00 0.00 C ATOM 398 CG HIS A 155 0.033 5.360 -3.410 1.00 0.00 C ATOM 399 ND1 HIS A 155 -0.914 6.275 -2.958 1.00 0.00 N ATOM 400 CD2 HIS A 155 1.079 6.100 -3.897 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.410 7.505 -3.187 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.798 7.454 -3.756 1.00 0.00 N ATOM 0 H HIS A 155 -1.453 4.094 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 155 1.220 3.565 -4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.246 3.667 -3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.366 3.470 -2.461 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -1.816 6.057 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.983 5.693 -4.325 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -0.922 8.423 -2.940 1.00 0.00 H new ATOM 409 N GLY A 156 1.475 1.069 -4.522 1.00 0.00 N ATOM 410 CA GLY A 156 1.582 -0.403 -4.323 1.00 0.00 C ATOM 411 C GLY A 156 2.013 -0.732 -2.893 1.00 0.00 C ATOM 412 O GLY A 156 3.076 -0.350 -2.444 1.00 0.00 O ATOM 0 H GLY A 156 2.340 1.539 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.622 -0.873 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.302 -0.818 -5.028 1.00 0.00 H new ATOM 416 N PHE A 157 1.194 -1.461 -2.190 1.00 0.00 N ATOM 417 CA PHE A 157 1.527 -1.861 -0.794 1.00 0.00 C ATOM 418 C PHE A 157 1.641 -3.379 -0.763 1.00 0.00 C ATOM 419 O PHE A 157 1.642 -4.020 -1.791 1.00 0.00 O ATOM 420 CB PHE A 157 0.411 -1.388 0.146 1.00 0.00 C ATOM 421 CG PHE A 157 0.277 0.104 0.013 1.00 0.00 C ATOM 422 CD1 PHE A 157 1.043 0.953 0.820 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.606 0.637 -0.927 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.924 2.342 0.682 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.727 2.020 -1.064 1.00 0.00 C ATOM 426 CZ PHE A 157 0.038 2.875 -0.260 1.00 0.00 C ATOM 0 H PHE A 157 0.294 -1.802 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 157 2.465 -1.411 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.530 -1.877 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.644 -1.657 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.725 0.538 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.196 -0.021 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.515 3.000 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.411 2.432 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.056 3.945 -0.368 1.00 0.00 H new ATOM 436 N HIS A 158 1.748 -3.966 0.386 1.00 0.00 N ATOM 437 CA HIS A 158 1.870 -5.446 0.444 1.00 0.00 C ATOM 438 C HIS A 158 0.488 -6.074 0.539 1.00 0.00 C ATOM 439 O HIS A 158 -0.456 -5.445 0.954 1.00 0.00 O ATOM 440 CB HIS A 158 2.667 -5.827 1.683 1.00 0.00 C ATOM 441 CG HIS A 158 4.128 -5.880 1.329 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.044 -5.046 1.934 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.836 -6.621 0.415 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.243 -5.288 1.383 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.175 -6.244 0.451 1.00 0.00 N ATOM 0 H HIS A 158 1.757 -3.490 1.288 1.00 0.00 H new ATOM 0 HA HIS A 158 2.371 -5.803 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.498 -5.100 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.336 -6.794 2.061 1.00 0.00 H new ATOM 0 HD1 HIS A 158 4.846 -4.367 2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.418 -7.379 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.152 -4.774 1.659 1.00 0.00 H new ATOM 452 N ALA A 159 0.356 -7.316 0.186 1.00 0.00 N ATOM 453 CA ALA A 159 -0.973 -7.959 0.307 1.00 0.00 C ATOM 454 C ALA A 159 -1.217 -8.209 1.794 1.00 0.00 C ATOM 455 O ALA A 159 -2.336 -8.218 2.267 1.00 0.00 O ATOM 456 CB ALA A 159 -0.981 -9.291 -0.448 1.00 0.00 C ATOM 0 H ALA A 159 1.102 -7.909 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.750 -7.323 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.962 -9.757 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.763 -9.114 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.223 -9.952 -0.027 1.00 0.00 H new ATOM 462 N GLU A 160 -0.154 -8.403 2.533 1.00 0.00 N ATOM 463 CA GLU A 160 -0.277 -8.646 3.996 1.00 0.00 C ATOM 464 C GLU A 160 -0.378 -7.312 4.742 1.00 0.00 C ATOM 465 O GLU A 160 -1.274 -7.113 5.536 1.00 0.00 O ATOM 466 CB GLU A 160 0.949 -9.415 4.490 1.00 0.00 C ATOM 467 CG GLU A 160 0.847 -10.877 4.049 1.00 0.00 C ATOM 468 CD GLU A 160 1.203 -11.792 5.223 1.00 0.00 C ATOM 469 OE1 GLU A 160 0.452 -11.808 6.185 1.00 0.00 O ATOM 470 OE2 GLU A 160 2.220 -12.461 5.140 1.00 0.00 O ATOM 0 H GLU A 160 0.802 -8.403 2.178 1.00 0.00 H new ATOM 0 HA GLU A 160 -1.177 -9.230 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.858 -8.966 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.015 -9.356 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.163 -11.093 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.520 -11.063 3.212 1.00 0.00 H new ATOM 477 N CYS A 161 0.526 -6.391 4.506 1.00 0.00 N ATOM 478 CA CYS A 161 0.443 -5.089 5.227 1.00 0.00 C ATOM 479 C CYS A 161 -0.827 -4.369 4.801 1.00 0.00 C ATOM 480 O CYS A 161 -1.504 -3.762 5.600 1.00 0.00 O ATOM 481 CB CYS A 161 1.638 -4.197 4.891 1.00 0.00 C ATOM 482 SG CYS A 161 3.167 -5.132 4.954 1.00 0.00 S ATOM 0 H CYS A 161 1.305 -6.485 3.855 1.00 0.00 H new ATOM 0 HA CYS A 161 0.440 -5.289 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.509 -3.768 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.686 -3.365 5.594 1.00 0.00 H new ATOM 0 HG CYS A 161 4.176 -4.323 4.822 1.00 0.00 H new ATOM 487 N VAL A 162 -1.146 -4.419 3.542 1.00 0.00 N ATOM 488 CA VAL A 162 -2.377 -3.725 3.062 1.00 0.00 C ATOM 489 C VAL A 162 -3.607 -4.311 3.768 1.00 0.00 C ATOM 490 O VAL A 162 -4.599 -3.637 3.962 1.00 0.00 O ATOM 491 CB VAL A 162 -2.518 -3.900 1.544 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.995 -5.319 1.229 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.538 -2.892 1.011 1.00 0.00 C ATOM 0 H VAL A 162 -0.612 -4.908 2.823 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.301 -2.662 3.292 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.551 -3.731 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.094 -5.439 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.270 -6.039 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.961 -5.492 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.641 -3.014 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.503 -3.063 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.199 -1.880 1.231 1.00 0.00 H new ATOM 503 N ASP A 163 -3.549 -5.557 4.157 1.00 0.00 N ATOM 504 CA ASP A 163 -4.714 -6.177 4.854 1.00 0.00 C ATOM 505 C ASP A 163 -4.728 -5.724 6.315 1.00 0.00 C ATOM 506 O ASP A 163 -5.733 -5.273 6.826 1.00 0.00 O ATOM 507 CB ASP A 163 -4.590 -7.702 4.790 1.00 0.00 C ATOM 508 CG ASP A 163 -5.287 -8.218 3.530 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.057 -7.652 2.475 1.00 0.00 O ATOM 510 OD2 ASP A 163 -6.040 -9.172 3.642 1.00 0.00 O ATOM 0 H ASP A 163 -2.746 -6.172 4.023 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.640 -5.868 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.539 -7.992 4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -5.038 -8.151 5.676 1.00 0.00 H new ATOM 515 N MET A 164 -3.616 -5.830 6.987 1.00 0.00 N ATOM 516 CA MET A 164 -3.559 -5.393 8.407 1.00 0.00 C ATOM 517 C MET A 164 -3.816 -3.889 8.472 1.00 0.00 C ATOM 518 O MET A 164 -4.223 -3.358 9.486 1.00 0.00 O ATOM 519 CB MET A 164 -2.175 -5.703 8.984 1.00 0.00 C ATOM 520 CG MET A 164 -1.860 -7.186 8.785 1.00 0.00 C ATOM 521 SD MET A 164 -0.736 -7.745 10.089 1.00 0.00 S ATOM 522 CE MET A 164 -1.975 -8.575 11.116 1.00 0.00 C ATOM 0 H MET A 164 -2.743 -6.201 6.612 1.00 0.00 H new ATOM 0 HA MET A 164 -4.315 -5.922 8.987 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.419 -5.091 8.493 1.00 0.00 H new ATOM 0 HB3 MET A 164 -2.147 -5.454 10.045 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.780 -7.770 8.808 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.406 -7.344 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 164 -1.492 -9.002 11.995 1.00 0.00 H new ATOM 0 HE2 MET A 164 -2.729 -7.854 11.431 1.00 0.00 H new ATOM 0 HE3 MET A 164 -2.451 -9.370 10.541 1.00 0.00 H new ATOM 532 N TRP A 165 -3.579 -3.199 7.389 1.00 0.00 N ATOM 533 CA TRP A 165 -3.806 -1.730 7.375 1.00 0.00 C ATOM 534 C TRP A 165 -5.291 -1.454 7.209 1.00 0.00 C ATOM 535 O TRP A 165 -5.784 -0.406 7.573 1.00 0.00 O ATOM 536 CB TRP A 165 -3.064 -1.102 6.200 1.00 0.00 C ATOM 537 CG TRP A 165 -3.366 0.362 6.158 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.346 0.942 5.416 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.702 1.440 6.876 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.312 2.314 5.633 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.319 2.663 6.525 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.632 1.475 7.788 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -2.889 3.876 7.057 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.198 2.696 8.328 1.00 0.00 C ATOM 545 CH2 TRP A 165 -1.826 3.894 7.962 1.00 0.00 C ATOM 0 H TRP A 165 -3.237 -3.593 6.512 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.443 -1.305 8.311 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.991 -1.262 6.304 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.368 -1.576 5.267 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.036 0.423 4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -4.943 2.981 5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.141 0.557 8.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.375 4.797 6.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.376 2.712 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.488 4.831 8.380 1.00 0.00 H new ATOM 556 N LEU A 166 -6.015 -2.387 6.663 1.00 0.00 N ATOM 557 CA LEU A 166 -7.459 -2.166 6.484 1.00 0.00 C ATOM 558 C LEU A 166 -8.097 -2.154 7.864 1.00 0.00 C ATOM 559 O LEU A 166 -8.450 -1.114 8.366 1.00 0.00 O ATOM 560 CB LEU A 166 -8.043 -3.303 5.640 1.00 0.00 C ATOM 561 CG LEU A 166 -7.613 -3.128 4.181 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.745 -4.463 3.446 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.509 -2.088 3.508 1.00 0.00 C ATOM 0 H LEU A 166 -5.664 -3.287 6.336 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.651 -1.222 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.699 -4.265 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.131 -3.302 5.712 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.576 -2.794 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.439 -4.338 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -7.108 -5.207 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.782 -4.797 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.204 -1.962 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.546 -2.423 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.417 -1.136 4.031 1.00 0.00 H new ATOM 575 N GLY A 167 -8.186 -3.309 8.475 1.00 0.00 N ATOM 576 CA GLY A 167 -8.767 -3.444 9.860 1.00 0.00 C ATOM 577 C GLY A 167 -9.641 -2.235 10.224 1.00 0.00 C ATOM 578 O GLY A 167 -9.578 -1.743 11.332 1.00 0.00 O ATOM 0 H GLY A 167 -7.874 -4.190 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.362 -4.355 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.960 -3.543 10.586 1.00 0.00 H new ATOM 582 N SER A 168 -10.437 -1.763 9.288 1.00 0.00 N ATOM 583 CA SER A 168 -11.324 -0.573 9.514 1.00 0.00 C ATOM 584 C SER A 168 -11.232 0.336 8.284 1.00 0.00 C ATOM 585 O SER A 168 -12.195 0.526 7.569 1.00 0.00 O ATOM 586 CB SER A 168 -10.893 0.224 10.750 1.00 0.00 C ATOM 587 OG SER A 168 -9.499 0.488 10.679 1.00 0.00 O ATOM 0 H SER A 168 -10.509 -2.165 8.353 1.00 0.00 H new ATOM 0 HA SER A 168 -12.343 -0.924 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.449 1.160 10.805 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.122 -0.337 11.656 1.00 0.00 H new ATOM 0 HG SER A 168 -9.012 -0.179 11.207 1.00 0.00 H new ATOM 593 N HIS A 169 -10.075 0.896 8.027 1.00 0.00 N ATOM 594 CA HIS A 169 -9.927 1.783 6.839 1.00 0.00 C ATOM 595 C HIS A 169 -9.932 0.926 5.572 1.00 0.00 C ATOM 596 O HIS A 169 -9.004 0.193 5.306 1.00 0.00 O ATOM 597 CB HIS A 169 -8.597 2.552 6.922 1.00 0.00 C ATOM 598 CG HIS A 169 -8.660 3.539 8.055 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.723 4.549 8.210 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.543 3.684 9.097 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.061 5.251 9.308 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.163 4.766 9.886 1.00 0.00 N ATOM 0 H HIS A 169 -9.232 0.776 8.588 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.753 2.494 6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.772 1.857 7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.405 3.071 5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.402 3.054 9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.508 6.103 9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.627 5.114 10.725 1.00 0.00 H new ATOM 610 N SER A 170 -10.964 1.026 4.782 1.00 0.00 N ATOM 611 CA SER A 170 -11.018 0.230 3.524 1.00 0.00 C ATOM 612 C SER A 170 -10.506 1.107 2.389 1.00 0.00 C ATOM 613 O SER A 170 -11.147 1.265 1.369 1.00 0.00 O ATOM 614 CB SER A 170 -12.460 -0.191 3.240 1.00 0.00 C ATOM 615 OG SER A 170 -13.322 0.407 4.199 1.00 0.00 O ATOM 0 H SER A 170 -11.772 1.624 4.953 1.00 0.00 H new ATOM 0 HA SER A 170 -10.405 -0.667 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.749 0.114 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.549 -1.277 3.281 1.00 0.00 H new ATOM 0 HG SER A 170 -14.248 0.140 4.018 1.00 0.00 H new ATOM 621 N THR A 171 -9.364 1.705 2.577 1.00 0.00 N ATOM 622 CA THR A 171 -8.813 2.604 1.533 1.00 0.00 C ATOM 623 C THR A 171 -7.289 2.470 1.468 1.00 0.00 C ATOM 624 O THR A 171 -6.682 1.673 2.155 1.00 0.00 O ATOM 625 CB THR A 171 -9.178 4.052 1.867 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.713 4.369 3.171 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.697 4.223 1.809 1.00 0.00 C ATOM 0 H THR A 171 -8.788 1.608 3.413 1.00 0.00 H new ATOM 0 HA THR A 171 -9.236 2.326 0.568 1.00 0.00 H new ATOM 0 HB THR A 171 -8.711 4.720 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.945 5.297 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.956 5.255 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.052 3.981 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.166 3.555 2.531 1.00 0.00 H new ATOM 635 N CYS A 172 -6.683 3.261 0.633 1.00 0.00 N ATOM 636 CA CYS A 172 -5.203 3.239 0.466 1.00 0.00 C ATOM 637 C CYS A 172 -4.558 3.812 1.738 1.00 0.00 C ATOM 638 O CYS A 172 -5.015 4.811 2.257 1.00 0.00 O ATOM 639 CB CYS A 172 -4.908 4.146 -0.727 1.00 0.00 C ATOM 640 SG CYS A 172 -3.186 4.056 -1.252 1.00 0.00 S ATOM 0 H CYS A 172 -7.163 3.941 0.043 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.813 2.234 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.554 3.867 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.152 5.176 -0.466 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.773 2.826 -1.175 1.00 0.00 H new ATOM 645 N PRO A 173 -3.531 3.150 2.224 1.00 0.00 N ATOM 646 CA PRO A 173 -2.837 3.565 3.460 1.00 0.00 C ATOM 647 C PRO A 173 -1.947 4.786 3.281 1.00 0.00 C ATOM 648 O PRO A 173 -1.617 5.448 4.245 1.00 0.00 O ATOM 649 CB PRO A 173 -1.973 2.357 3.818 1.00 0.00 C ATOM 650 CG PRO A 173 -1.793 1.547 2.520 1.00 0.00 C ATOM 651 CD PRO A 173 -2.962 1.935 1.595 1.00 0.00 C ATOM 0 HA PRO A 173 -3.560 3.851 4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.008 2.674 4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.451 1.753 4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.836 1.774 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.801 0.477 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.618 2.135 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.701 1.136 1.530 1.00 0.00 H new ATOM 659 N LEU A 174 -1.509 5.090 2.101 1.00 0.00 N ATOM 660 CA LEU A 174 -0.607 6.258 1.995 1.00 0.00 C ATOM 661 C LEU A 174 -1.373 7.522 1.608 1.00 0.00 C ATOM 662 O LEU A 174 -1.115 8.588 2.131 1.00 0.00 O ATOM 663 CB LEU A 174 0.479 5.975 0.955 1.00 0.00 C ATOM 664 CG LEU A 174 1.436 7.165 0.880 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.361 7.155 2.099 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.274 7.063 -0.397 1.00 0.00 C ATOM 0 H LEU A 174 -1.726 4.601 1.232 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.152 6.425 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 174 1.026 5.071 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.026 5.797 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 174 0.863 8.092 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.043 8.003 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.765 7.226 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.935 6.228 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.957 7.911 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.847 6.136 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.616 7.070 -1.266 1.00 0.00 H new ATOM 678 N CYS A 175 -2.315 7.432 0.715 1.00 0.00 N ATOM 679 CA CYS A 175 -3.071 8.656 0.344 1.00 0.00 C ATOM 680 C CYS A 175 -4.486 8.570 0.938 1.00 0.00 C ATOM 681 O CYS A 175 -4.965 9.519 1.518 1.00 0.00 O ATOM 682 CB CYS A 175 -3.087 8.809 -1.180 1.00 0.00 C ATOM 683 SG CYS A 175 -4.192 7.593 -1.917 1.00 0.00 S ATOM 0 H CYS A 175 -2.591 6.577 0.232 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.590 9.545 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.411 9.815 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.079 8.682 -1.576 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.768 6.396 -1.638 1.00 0.00 H new ATOM 688 N ARG A 176 -5.128 7.424 0.807 1.00 0.00 N ATOM 689 CA ARG A 176 -6.503 7.188 1.363 1.00 0.00 C ATOM 690 C ARG A 176 -7.529 7.265 0.246 1.00 0.00 C ATOM 691 O ARG A 176 -8.653 7.686 0.433 1.00 0.00 O ATOM 692 CB ARG A 176 -6.854 8.166 2.489 1.00 0.00 C ATOM 693 CG ARG A 176 -5.875 7.949 3.647 1.00 0.00 C ATOM 694 CD ARG A 176 -5.637 9.261 4.390 1.00 0.00 C ATOM 695 NE ARG A 176 -6.936 9.796 4.884 1.00 0.00 N ATOM 696 CZ ARG A 176 -7.081 10.086 6.148 1.00 0.00 C ATOM 697 NH1 ARG A 176 -7.124 9.131 7.037 1.00 0.00 N ATOM 698 NH2 ARG A 176 -7.182 11.331 6.526 1.00 0.00 N ATOM 0 H ARG A 176 -4.738 6.617 0.320 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.516 6.190 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.794 9.193 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.879 8.005 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -6.272 7.201 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.930 7.562 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -4.957 9.099 5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.162 9.985 3.728 1.00 0.00 H new ATOM 0 HE ARG A 176 -7.711 9.935 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -7.044 8.157 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -7.237 9.359 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -7.148 12.079 5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -7.295 11.556 7.514 1.00 0.00 H new ATOM 712 N LEU A 177 -7.148 6.808 -0.910 1.00 0.00 N ATOM 713 CA LEU A 177 -8.075 6.784 -2.054 1.00 0.00 C ATOM 714 C LEU A 177 -8.796 5.432 -2.032 1.00 0.00 C ATOM 715 O LEU A 177 -8.236 4.417 -2.397 1.00 0.00 O ATOM 716 CB LEU A 177 -7.271 6.915 -3.347 1.00 0.00 C ATOM 717 CG LEU A 177 -6.701 8.330 -3.470 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.527 8.320 -4.451 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.785 9.271 -3.998 1.00 0.00 C ATOM 0 H LEU A 177 -6.215 6.445 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.793 7.602 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.461 6.186 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -7.907 6.695 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.362 8.671 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.119 9.327 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.753 7.646 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.872 7.980 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.380 10.279 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.120 8.928 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.629 9.278 -3.308 1.00 0.00 H new