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= 0.98 USER MOD Set 1.2: A 137 CYS SG : rot -58:sc= -2.55! USER MOD Set 1.3: A 158 HIS : no HD1:sc= -2.04 K(o=-4.9,f=-5.9!) USER MOD Set 1.4: A 161 CYS SG : rot -173:sc= -1.34! USER MOD Set 2.1: A 153 CYS SG : rot -152:sc= -0.323 USER MOD Set 2.2: A 155 HIS : no HE2:sc= -1.32 K(o=-13,f=-12) USER MOD Set 2.3: A 172 CYS SG : rot 28:sc= -2.37! USER MOD Set 2.4: A 175 CYS SG : rot -69:sc= -8.92! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.15) 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 7.433 2.783 -1.431 1.00 0.00 N ATOM 78 CA GLU A 133 7.691 2.455 0.000 1.00 0.00 C ATOM 79 C GLU A 133 6.398 2.022 0.689 1.00 0.00 C ATOM 80 O GLU A 133 5.423 2.745 0.730 1.00 0.00 O ATOM 81 CB GLU A 133 8.261 3.679 0.719 1.00 0.00 C ATOM 82 CG GLU A 133 9.788 3.639 0.653 1.00 0.00 C ATOM 83 CD GLU A 133 10.267 4.337 -0.622 1.00 0.00 C ATOM 84 OE1 GLU A 133 10.022 5.525 -0.750 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.870 3.671 -1.447 1.00 0.00 O ATOM 0 HA GLU A 133 8.410 1.637 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.889 4.593 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.931 3.691 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.213 4.129 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.135 2.606 0.666 1.00 0.00 H new ATOM 92 N CYS A 134 6.400 0.844 1.244 1.00 0.00 N ATOM 93 CA CYS A 134 5.196 0.336 1.957 1.00 0.00 C ATOM 94 C CYS A 134 4.917 1.237 3.160 1.00 0.00 C ATOM 95 O CYS A 134 5.670 1.267 4.113 1.00 0.00 O ATOM 96 CB CYS A 134 5.498 -1.082 2.432 1.00 0.00 C ATOM 97 SG CYS A 134 4.012 -1.899 3.067 1.00 0.00 S ATOM 0 H CYS A 134 7.194 0.204 1.234 1.00 0.00 H new ATOM 0 HA CYS A 134 4.325 0.335 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.910 -1.663 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.259 -1.051 3.212 1.00 0.00 H new ATOM 0 HG CYS A 134 4.051 -3.164 2.769 1.00 0.00 H new ATOM 102 N ALA A 135 3.848 1.980 3.123 1.00 0.00 N ATOM 103 CA ALA A 135 3.534 2.884 4.265 1.00 0.00 C ATOM 104 C ALA A 135 3.242 2.055 5.518 1.00 0.00 C ATOM 105 O ALA A 135 3.106 2.586 6.603 1.00 0.00 O ATOM 106 CB ALA A 135 2.309 3.732 3.920 1.00 0.00 C ATOM 0 H ALA A 135 3.179 2.001 2.354 1.00 0.00 H new ATOM 0 HA ALA A 135 4.388 3.534 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.078 4.394 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.517 4.328 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.457 3.080 3.728 1.00 0.00 H new ATOM 112 N VAL A 136 3.132 0.761 5.384 1.00 0.00 N ATOM 113 CA VAL A 136 2.834 -0.080 6.577 1.00 0.00 C ATOM 114 C VAL A 136 4.119 -0.706 7.131 1.00 0.00 C ATOM 115 O VAL A 136 4.537 -0.395 8.229 1.00 0.00 O ATOM 116 CB VAL A 136 1.860 -1.184 6.187 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.652 -2.121 7.378 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.520 -0.563 5.785 1.00 0.00 C ATOM 0 H VAL A 136 3.235 0.253 4.506 1.00 0.00 H new ATOM 0 HA VAL A 136 2.392 0.551 7.348 1.00 0.00 H new ATOM 0 HB VAL A 136 2.265 -1.748 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.955 -2.912 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.607 -2.562 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.246 -1.557 8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.178 -1.353 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.113 0.000 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.669 0.106 4.938 1.00 0.00 H new ATOM 128 N CYS A 137 4.751 -1.592 6.401 1.00 0.00 N ATOM 129 CA CYS A 137 5.994 -2.215 6.940 1.00 0.00 C ATOM 130 C CYS A 137 7.227 -1.444 6.457 1.00 0.00 C ATOM 131 O CYS A 137 8.304 -1.576 7.003 1.00 0.00 O ATOM 132 CB CYS A 137 6.103 -3.689 6.521 1.00 0.00 C ATOM 133 SG CYS A 137 6.653 -3.830 4.802 1.00 0.00 S ATOM 0 H CYS A 137 4.465 -1.905 5.473 1.00 0.00 H new ATOM 0 HA CYS A 137 5.946 -2.171 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.804 -4.207 7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.136 -4.178 6.639 1.00 0.00 H new ATOM 0 HG CYS A 137 5.823 -3.196 4.028 1.00 0.00 H new ATOM 138 N LEU A 138 7.084 -0.643 5.435 1.00 0.00 N ATOM 139 CA LEU A 138 8.257 0.125 4.924 1.00 0.00 C ATOM 140 C LEU A 138 9.346 -0.856 4.488 1.00 0.00 C ATOM 141 O LEU A 138 10.516 -0.654 4.743 1.00 0.00 O ATOM 142 CB LEU A 138 8.801 1.028 6.035 1.00 0.00 C ATOM 143 CG LEU A 138 7.637 1.611 6.837 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.175 2.267 8.110 1.00 0.00 C ATOM 145 CD2 LEU A 138 6.911 2.660 5.991 1.00 0.00 C ATOM 0 H LEU A 138 6.210 -0.487 4.933 1.00 0.00 H new ATOM 0 HA LEU A 138 7.952 0.739 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.459 0.458 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.398 1.832 5.605 1.00 0.00 H new ATOM 0 HG LEU A 138 6.943 0.814 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.346 2.683 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.694 1.521 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.868 3.065 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.081 3.077 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.605 3.457 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.529 2.194 5.083 1.00 0.00 H new ATOM 157 N ALA A 139 8.966 -1.921 3.837 1.00 0.00 N ATOM 158 CA ALA A 139 9.977 -2.921 3.390 1.00 0.00 C ATOM 159 C ALA A 139 10.185 -2.804 1.878 1.00 0.00 C ATOM 160 O ALA A 139 9.249 -2.869 1.106 1.00 0.00 O ATOM 161 CB ALA A 139 9.481 -4.329 3.727 1.00 0.00 C ATOM 0 H ALA A 139 8.000 -2.142 3.595 1.00 0.00 H new ATOM 0 HA ALA A 139 10.922 -2.733 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.219 -5.062 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.335 -4.415 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.536 -4.514 3.217 1.00 0.00 H new ATOM 167 N GLU A 140 11.406 -2.635 1.451 1.00 0.00 N ATOM 168 CA GLU A 140 11.675 -2.518 -0.009 1.00 0.00 C ATOM 169 C GLU A 140 10.900 -3.604 -0.758 1.00 0.00 C ATOM 170 O GLU A 140 11.045 -4.780 -0.489 1.00 0.00 O ATOM 171 CB GLU A 140 13.174 -2.692 -0.267 1.00 0.00 C ATOM 172 CG GLU A 140 13.752 -1.389 -0.819 1.00 0.00 C ATOM 173 CD GLU A 140 15.258 -1.550 -1.036 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.738 -2.666 -0.916 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.906 -0.556 -1.320 1.00 0.00 O ATOM 0 H GLU A 140 12.229 -2.573 2.050 1.00 0.00 H new ATOM 0 HA GLU A 140 11.357 -1.536 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.683 -2.965 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.340 -3.504 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.264 -1.132 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.559 -0.571 -0.125 1.00 0.00 H new ATOM 182 N LEU A 141 10.077 -3.221 -1.694 1.00 0.00 N ATOM 183 CA LEU A 141 9.293 -4.232 -2.457 1.00 0.00 C ATOM 184 C LEU A 141 10.234 -5.048 -3.344 1.00 0.00 C ATOM 185 O LEU A 141 10.770 -4.555 -4.317 1.00 0.00 O ATOM 186 CB LEU A 141 8.256 -3.520 -3.329 1.00 0.00 C ATOM 187 CG LEU A 141 7.087 -3.060 -2.457 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.369 -1.895 -3.140 1.00 0.00 C ATOM 189 CD2 LEU A 141 6.108 -4.221 -2.266 1.00 0.00 C ATOM 0 H LEU A 141 9.913 -2.251 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 141 8.786 -4.899 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.711 -2.664 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.899 -4.191 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 141 7.462 -2.736 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.536 -1.567 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 141 7.066 -1.069 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.993 -2.218 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.274 -3.895 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.733 -4.544 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.619 -5.052 -1.780 1.00 0.00 H new ATOM 201 N GLU A 142 10.437 -6.296 -3.019 1.00 0.00 N ATOM 202 CA GLU A 142 11.342 -7.145 -3.844 1.00 0.00 C ATOM 203 C GLU A 142 10.671 -8.493 -4.112 1.00 0.00 C ATOM 204 O GLU A 142 9.636 -8.803 -3.555 1.00 0.00 O ATOM 205 CB GLU A 142 12.658 -7.369 -3.095 1.00 0.00 C ATOM 206 CG GLU A 142 13.557 -6.143 -3.262 1.00 0.00 C ATOM 207 CD GLU A 142 14.767 -6.266 -2.333 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.627 -5.946 -1.165 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.812 -6.679 -2.807 1.00 0.00 O ATOM 0 H GLU A 142 10.015 -6.764 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 142 11.545 -6.645 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 142 12.461 -7.547 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 142 13.161 -8.256 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.887 -6.060 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.999 -5.236 -3.031 1.00 0.00 H new ATOM 216 N ASP A 143 11.251 -9.297 -4.960 1.00 0.00 N ATOM 217 CA ASP A 143 10.645 -10.625 -5.262 1.00 0.00 C ATOM 218 C ASP A 143 10.471 -11.415 -3.963 1.00 0.00 C ATOM 219 O ASP A 143 11.308 -11.375 -3.083 1.00 0.00 O ATOM 220 CB ASP A 143 11.563 -11.400 -6.210 1.00 0.00 C ATOM 221 CG ASP A 143 11.271 -10.987 -7.654 1.00 0.00 C ATOM 222 OD1 ASP A 143 11.039 -9.810 -7.877 1.00 0.00 O ATOM 223 OD2 ASP A 143 11.286 -11.854 -8.512 1.00 0.00 O ATOM 0 H ASP A 143 12.118 -9.092 -5.457 1.00 0.00 H new ATOM 0 HA ASP A 143 9.672 -10.481 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.607 -11.200 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 143 11.407 -12.472 -6.089 1.00 0.00 H new ATOM 228 N GLY A 144 9.390 -12.137 -3.837 1.00 0.00 N ATOM 229 CA GLY A 144 9.163 -12.933 -2.597 1.00 0.00 C ATOM 230 C GLY A 144 7.870 -12.474 -1.917 1.00 0.00 C ATOM 231 O GLY A 144 7.216 -13.234 -1.233 1.00 0.00 O ATOM 0 H GLY A 144 8.654 -12.210 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 144 9.100 -13.994 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 144 10.006 -12.812 -1.916 1.00 0.00 H new ATOM 235 N GLU A 145 7.496 -11.237 -2.101 1.00 0.00 N ATOM 236 CA GLU A 145 6.243 -10.736 -1.465 1.00 0.00 C ATOM 237 C GLU A 145 5.256 -10.310 -2.553 1.00 0.00 C ATOM 238 O GLU A 145 5.536 -10.410 -3.731 1.00 0.00 O ATOM 239 CB GLU A 145 6.565 -9.535 -0.573 1.00 0.00 C ATOM 240 CG GLU A 145 6.991 -10.025 0.812 1.00 0.00 C ATOM 241 CD GLU A 145 8.519 -10.063 0.892 1.00 0.00 C ATOM 242 OE1 GLU A 145 9.133 -10.451 -0.089 1.00 0.00 O ATOM 243 OE2 GLU A 145 9.048 -9.706 1.931 1.00 0.00 O ATOM 0 H GLU A 145 8.002 -10.553 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 145 5.802 -11.529 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 145 7.361 -8.940 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.692 -8.887 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.592 -9.364 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 145 6.582 -11.017 1.000 1.00 0.00 H new ATOM 250 N GLU A 146 4.104 -9.830 -2.171 1.00 0.00 N ATOM 251 CA GLU A 146 3.105 -9.395 -3.186 1.00 0.00 C ATOM 252 C GLU A 146 2.628 -7.981 -2.852 1.00 0.00 C ATOM 253 O GLU A 146 2.697 -7.548 -1.721 1.00 0.00 O ATOM 254 CB GLU A 146 1.915 -10.357 -3.177 1.00 0.00 C ATOM 255 CG GLU A 146 2.371 -11.739 -3.651 1.00 0.00 C ATOM 256 CD GLU A 146 2.127 -11.870 -5.155 1.00 0.00 C ATOM 257 OE1 GLU A 146 1.189 -11.257 -5.638 1.00 0.00 O ATOM 258 OE2 GLU A 146 2.881 -12.580 -5.799 1.00 0.00 O ATOM 0 H GLU A 146 3.812 -9.721 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 146 3.562 -9.399 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.497 -10.425 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.125 -9.981 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 146 3.429 -11.880 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 146 1.827 -12.517 -3.115 1.00 0.00 H new ATOM 265 N ALA A 147 2.151 -7.258 -3.827 1.00 0.00 N ATOM 266 CA ALA A 147 1.673 -5.870 -3.567 1.00 0.00 C ATOM 267 C ALA A 147 0.272 -5.694 -4.153 1.00 0.00 C ATOM 268 O ALA A 147 -0.272 -6.589 -4.770 1.00 0.00 O ATOM 269 CB ALA A 147 2.630 -4.870 -4.221 1.00 0.00 C ATOM 0 H ALA A 147 2.071 -7.569 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 147 1.641 -5.692 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.281 -3.855 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.629 -4.995 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.663 -5.047 -5.296 1.00 0.00 H new ATOM 275 N ARG A 148 -0.317 -4.547 -3.962 1.00 0.00 N ATOM 276 CA ARG A 148 -1.681 -4.306 -4.500 1.00 0.00 C ATOM 277 C ARG A 148 -1.815 -2.824 -4.860 1.00 0.00 C ATOM 278 O ARG A 148 -1.625 -1.955 -4.032 1.00 0.00 O ATOM 279 CB ARG A 148 -2.715 -4.677 -3.432 1.00 0.00 C ATOM 280 CG ARG A 148 -2.468 -6.110 -2.953 1.00 0.00 C ATOM 281 CD ARG A 148 -3.772 -6.697 -2.409 1.00 0.00 C ATOM 282 NE ARG A 148 -4.114 -7.933 -3.169 1.00 0.00 N ATOM 283 CZ ARG A 148 -4.969 -8.787 -2.676 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.244 -8.508 -2.677 1.00 0.00 N ATOM 285 NH2 ARG A 148 -4.549 -9.920 -2.183 1.00 0.00 N ATOM 0 H ARG A 148 0.091 -3.763 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.849 -4.914 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.649 -3.986 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.722 -4.588 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.097 -6.721 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.701 -6.119 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.666 -6.927 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.577 -5.968 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.680 -8.111 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.572 -7.623 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.912 -9.175 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -3.553 -10.138 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -5.217 -10.587 -1.798 1.00 0.00 H new ATOM 299 N PHE A 149 -2.132 -2.527 -6.091 1.00 0.00 N ATOM 300 CA PHE A 149 -2.269 -1.100 -6.504 1.00 0.00 C ATOM 301 C PHE A 149 -3.752 -0.723 -6.560 1.00 0.00 C ATOM 302 O PHE A 149 -4.593 -1.534 -6.891 1.00 0.00 O ATOM 303 CB PHE A 149 -1.646 -0.908 -7.888 1.00 0.00 C ATOM 304 CG PHE A 149 -0.256 -1.496 -7.904 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.784 -0.856 -7.219 1.00 0.00 C ATOM 306 CD2 PHE A 149 -0.006 -2.682 -8.605 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.073 -1.401 -7.235 1.00 0.00 C ATOM 308 CE2 PHE A 149 1.283 -3.228 -8.620 1.00 0.00 C ATOM 309 CZ PHE A 149 2.322 -2.587 -7.935 1.00 0.00 C ATOM 0 H PHE A 149 -2.302 -3.210 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.758 -0.464 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -2.264 -1.389 -8.646 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.606 0.153 -8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.591 0.059 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -0.808 -3.176 -9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.875 -0.907 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 149 1.476 -4.143 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.316 -3.008 -7.947 1.00 0.00 H new ATOM 319 N LEU A 150 -4.082 0.500 -6.243 1.00 0.00 N ATOM 320 CA LEU A 150 -5.513 0.917 -6.286 1.00 0.00 C ATOM 321 C LEU A 150 -5.789 1.656 -7.601 1.00 0.00 C ATOM 322 O LEU A 150 -4.874 2.122 -8.250 1.00 0.00 O ATOM 323 CB LEU A 150 -5.816 1.829 -5.095 1.00 0.00 C ATOM 324 CG LEU A 150 -5.236 1.217 -3.815 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.889 1.872 -2.598 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.515 -0.290 -3.783 1.00 0.00 C ATOM 0 H LEU A 150 -3.425 1.226 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 150 -6.154 0.037 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.388 2.817 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.893 1.961 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.159 1.386 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.478 1.438 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.690 2.944 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.965 1.702 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.100 -0.718 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.591 -0.461 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.053 -0.764 -4.649 1.00 0.00 H new ATOM 338 N PRO A 151 -7.047 1.721 -7.962 1.00 0.00 N ATOM 339 CA PRO A 151 -7.485 2.377 -9.210 1.00 0.00 C ATOM 340 C PRO A 151 -7.496 3.906 -9.077 1.00 0.00 C ATOM 341 O PRO A 151 -7.204 4.614 -10.020 1.00 0.00 O ATOM 342 CB PRO A 151 -8.906 1.840 -9.414 1.00 0.00 C ATOM 343 CG PRO A 151 -9.403 1.377 -8.025 1.00 0.00 C ATOM 344 CD PRO A 151 -8.149 1.147 -7.161 1.00 0.00 C ATOM 0 HA PRO A 151 -6.818 2.166 -10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.558 2.612 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.910 1.012 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -10.050 2.130 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.989 0.462 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -8.236 1.640 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.989 0.087 -6.965 1.00 0.00 H new ATOM 352 N ARG A 152 -7.837 4.427 -7.929 1.00 0.00 N ATOM 353 CA ARG A 152 -7.868 5.910 -7.773 1.00 0.00 C ATOM 354 C ARG A 152 -6.473 6.487 -7.969 1.00 0.00 C ATOM 355 O ARG A 152 -6.280 7.492 -8.625 1.00 0.00 O ATOM 356 CB ARG A 152 -8.274 6.274 -6.350 1.00 0.00 C ATOM 357 CG ARG A 152 -9.462 5.446 -5.872 1.00 0.00 C ATOM 358 CD ARG A 152 -10.251 6.256 -4.837 1.00 0.00 C ATOM 359 NE ARG A 152 -11.664 6.404 -5.286 1.00 0.00 N ATOM 360 CZ ARG A 152 -12.165 7.593 -5.476 1.00 0.00 C ATOM 361 NH1 ARG A 152 -12.035 8.177 -6.637 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.794 8.199 -4.508 1.00 0.00 N ATOM 0 H ARG A 152 -8.094 3.894 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.571 6.304 -8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.429 6.118 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.527 7.333 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -10.103 5.186 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.116 4.510 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.217 5.757 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.796 7.238 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.239 5.576 -5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -11.542 7.703 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.426 9.107 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -12.895 7.743 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.185 9.129 -4.658 1.00 0.00 H new ATOM 376 N CYS A 153 -5.512 5.881 -7.345 1.00 0.00 N ATOM 377 CA CYS A 153 -4.122 6.406 -7.414 1.00 0.00 C ATOM 378 C CYS A 153 -3.163 5.374 -8.011 1.00 0.00 C ATOM 379 O CYS A 153 -2.412 5.669 -8.920 1.00 0.00 O ATOM 380 CB CYS A 153 -3.670 6.739 -5.990 1.00 0.00 C ATOM 381 SG CYS A 153 -4.219 5.425 -4.863 1.00 0.00 S ATOM 0 H CYS A 153 -5.627 5.037 -6.784 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.108 7.289 -8.053 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.585 6.835 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -4.085 7.698 -5.679 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.385 5.917 -3.671 1.00 0.00 H new ATOM 386 N GLY A 154 -3.158 4.178 -7.497 1.00 0.00 N ATOM 387 CA GLY A 154 -2.224 3.151 -8.021 1.00 0.00 C ATOM 388 C GLY A 154 -1.184 2.826 -6.943 1.00 0.00 C ATOM 389 O GLY A 154 -0.398 1.912 -7.090 1.00 0.00 O ATOM 0 H GLY A 154 -3.762 3.868 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.772 2.251 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.731 3.515 -8.922 1.00 0.00 H new ATOM 393 N HIS A 155 -1.177 3.562 -5.854 1.00 0.00 N ATOM 394 CA HIS A 155 -0.187 3.273 -4.771 1.00 0.00 C ATOM 395 C HIS A 155 -0.159 1.761 -4.551 1.00 0.00 C ATOM 396 O HIS A 155 -1.188 1.116 -4.526 1.00 0.00 O ATOM 397 CB HIS A 155 -0.606 3.964 -3.464 1.00 0.00 C ATOM 398 CG HIS A 155 -0.370 5.453 -3.543 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.311 6.363 -3.077 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.676 6.197 -4.026 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.809 7.595 -3.291 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.398 7.550 -3.867 1.00 0.00 N ATOM 0 H HIS A 155 -1.808 4.342 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 155 0.796 3.645 -5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.660 3.769 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -0.042 3.546 -2.630 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -2.212 6.140 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.578 5.794 -4.463 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.320 8.510 -3.029 1.00 0.00 H new ATOM 409 N GLY A 156 0.998 1.179 -4.414 1.00 0.00 N ATOM 410 CA GLY A 156 1.049 -0.297 -4.222 1.00 0.00 C ATOM 411 C GLY A 156 1.555 -0.647 -2.820 1.00 0.00 C ATOM 412 O GLY A 156 2.609 -0.216 -2.395 1.00 0.00 O ATOM 0 H GLY A 156 1.901 1.654 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.056 -0.722 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 156 1.703 -0.743 -4.971 1.00 0.00 H new ATOM 416 N PHE A 157 0.805 -1.444 -2.111 1.00 0.00 N ATOM 417 CA PHE A 157 1.212 -1.865 -0.740 1.00 0.00 C ATOM 418 C PHE A 157 1.200 -3.387 -0.692 1.00 0.00 C ATOM 419 O PHE A 157 0.549 -4.039 -1.479 1.00 0.00 O ATOM 420 CB PHE A 157 0.215 -1.306 0.277 1.00 0.00 C ATOM 421 CG PHE A 157 0.058 0.172 0.038 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.873 0.636 -0.895 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.851 1.078 0.748 1.00 0.00 C ATOM 424 CE1 PHE A 157 -1.011 2.009 -1.120 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.715 2.452 0.525 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.217 2.919 -0.409 1.00 0.00 C ATOM 0 H PHE A 157 -0.086 -1.827 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 157 2.207 -1.490 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.747 -1.809 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.568 -1.489 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.486 -0.065 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.569 0.717 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.730 2.368 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.328 3.152 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.324 3.980 -0.582 1.00 0.00 H new ATOM 436 N HIS A 158 1.921 -3.956 0.211 1.00 0.00 N ATOM 437 CA HIS A 158 1.962 -5.437 0.294 1.00 0.00 C ATOM 438 C HIS A 158 0.550 -5.997 0.359 1.00 0.00 C ATOM 439 O HIS A 158 -0.366 -5.340 0.795 1.00 0.00 O ATOM 440 CB HIS A 158 2.721 -5.840 1.550 1.00 0.00 C ATOM 441 CG HIS A 158 4.185 -5.895 1.216 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.084 -5.032 1.802 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.902 -6.638 0.313 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.281 -5.254 1.241 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.231 -6.229 0.328 1.00 0.00 N ATOM 0 H HIS A 158 2.489 -3.464 0.901 1.00 0.00 H new ATOM 0 HA HIS A 158 2.460 -5.834 -0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.540 -5.122 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.376 -6.810 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.497 -7.420 -0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.178 -4.710 1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.000 -6.593 -0.235 1.00 0.00 H new ATOM 452 N ALA A 159 0.365 -7.218 -0.043 1.00 0.00 N ATOM 453 CA ALA A 159 -0.991 -7.803 0.046 1.00 0.00 C ATOM 454 C ALA A 159 -1.238 -8.111 1.521 1.00 0.00 C ATOM 455 O ALA A 159 -2.357 -8.134 1.993 1.00 0.00 O ATOM 456 CB ALA A 159 -1.057 -9.092 -0.778 1.00 0.00 C ATOM 0 H ALA A 159 1.087 -7.829 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.744 -7.117 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -2.058 -9.518 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.829 -8.870 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.331 -9.808 -0.393 1.00 0.00 H new ATOM 462 N GLU A 160 -0.174 -8.335 2.250 1.00 0.00 N ATOM 463 CA GLU A 160 -0.295 -8.628 3.704 1.00 0.00 C ATOM 464 C GLU A 160 -0.388 -7.319 4.493 1.00 0.00 C ATOM 465 O GLU A 160 -1.304 -7.121 5.263 1.00 0.00 O ATOM 466 CB GLU A 160 0.929 -9.420 4.169 1.00 0.00 C ATOM 467 CG GLU A 160 0.947 -10.786 3.480 1.00 0.00 C ATOM 468 CD GLU A 160 1.948 -11.700 4.188 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.667 -12.099 5.307 1.00 0.00 O ATOM 470 OE2 GLU A 160 2.977 -11.987 3.600 1.00 0.00 O ATOM 0 H GLU A 160 0.781 -8.327 1.893 1.00 0.00 H new ATOM 0 HA GLU A 160 -1.197 -9.215 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.841 -8.871 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.903 -9.547 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.048 -11.231 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.220 -10.673 2.431 1.00 0.00 H new ATOM 477 N CYS A 161 0.549 -6.414 4.315 1.00 0.00 N ATOM 478 CA CYS A 161 0.476 -5.133 5.073 1.00 0.00 C ATOM 479 C CYS A 161 -0.792 -4.401 4.667 1.00 0.00 C ATOM 480 O CYS A 161 -1.486 -3.841 5.484 1.00 0.00 O ATOM 481 CB CYS A 161 1.679 -4.239 4.762 1.00 0.00 C ATOM 482 SG CYS A 161 3.200 -5.186 4.823 1.00 0.00 S ATOM 0 H CYS A 161 1.347 -6.509 3.687 1.00 0.00 H new ATOM 0 HA CYS A 161 0.476 -5.358 6.140 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.562 -3.792 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.725 -3.420 5.479 1.00 0.00 H new ATOM 0 HG CYS A 161 4.216 -4.383 4.711 1.00 0.00 H new ATOM 487 N VAL A 162 -1.094 -4.398 3.403 1.00 0.00 N ATOM 488 CA VAL A 162 -2.326 -3.698 2.939 1.00 0.00 C ATOM 489 C VAL A 162 -3.544 -4.285 3.658 1.00 0.00 C ATOM 490 O VAL A 162 -4.559 -3.634 3.810 1.00 0.00 O ATOM 491 CB VAL A 162 -2.487 -3.870 1.424 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.912 -5.306 1.113 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.559 -2.903 0.917 1.00 0.00 C ATOM 0 H VAL A 162 -0.545 -4.848 2.670 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.244 -2.635 3.167 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.538 -3.658 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.026 -5.426 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.152 -5.997 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.861 -5.519 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.676 -3.022 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.506 -3.118 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.259 -1.879 1.138 1.00 0.00 H new ATOM 503 N ASP A 163 -3.449 -5.506 4.111 1.00 0.00 N ATOM 504 CA ASP A 163 -4.599 -6.127 4.833 1.00 0.00 C ATOM 505 C ASP A 163 -4.572 -5.683 6.294 1.00 0.00 C ATOM 506 O ASP A 163 -5.575 -5.293 6.855 1.00 0.00 O ATOM 507 CB ASP A 163 -4.483 -7.653 4.759 1.00 0.00 C ATOM 508 CG ASP A 163 -5.215 -8.163 3.516 1.00 0.00 C ATOM 509 OD1 ASP A 163 -6.111 -7.473 3.054 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.867 -9.234 3.046 1.00 0.00 O ATOM 0 H ASP A 163 -2.626 -6.101 4.013 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.536 -5.813 4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.434 -7.947 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.909 -8.104 5.655 1.00 0.00 H new ATOM 515 N MET A 164 -3.425 -5.726 6.912 1.00 0.00 N ATOM 516 CA MET A 164 -3.326 -5.294 8.331 1.00 0.00 C ATOM 517 C MET A 164 -3.667 -3.806 8.416 1.00 0.00 C ATOM 518 O MET A 164 -4.067 -3.306 9.448 1.00 0.00 O ATOM 519 CB MET A 164 -1.901 -5.525 8.840 1.00 0.00 C ATOM 520 CG MET A 164 -1.558 -7.013 8.738 1.00 0.00 C ATOM 521 SD MET A 164 -2.589 -7.951 9.892 1.00 0.00 S ATOM 522 CE MET A 164 -1.321 -8.228 11.153 1.00 0.00 C ATOM 0 H MET A 164 -2.550 -6.043 6.493 1.00 0.00 H new ATOM 0 HA MET A 164 -4.020 -5.869 8.944 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.194 -4.937 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.814 -5.191 9.874 1.00 0.00 H new ATOM 0 HG2 MET A 164 -1.721 -7.366 7.719 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.504 -7.170 8.965 1.00 0.00 H new ATOM 0 HE1 MET A 164 -1.746 -8.801 11.977 1.00 0.00 H new ATOM 0 HE2 MET A 164 -0.489 -8.782 10.717 1.00 0.00 H new ATOM 0 HE3 MET A 164 -0.962 -7.268 11.525 1.00 0.00 H new ATOM 532 N TRP A 165 -3.516 -3.098 7.330 1.00 0.00 N ATOM 533 CA TRP A 165 -3.834 -1.645 7.333 1.00 0.00 C ATOM 534 C TRP A 165 -5.334 -1.466 7.158 1.00 0.00 C ATOM 535 O TRP A 165 -5.896 -0.454 7.528 1.00 0.00 O ATOM 536 CB TRP A 165 -3.115 -0.963 6.173 1.00 0.00 C ATOM 537 CG TRP A 165 -3.505 0.479 6.132 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.503 1.001 5.374 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.920 1.594 6.865 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.551 2.372 5.588 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.601 2.779 6.501 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.873 1.690 7.799 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.253 4.015 7.042 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.522 2.935 8.348 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.211 4.095 7.969 1.00 0.00 C ATOM 0 H TRP A 165 -3.185 -3.466 6.438 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.510 -1.202 8.275 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.036 -1.057 6.293 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.375 -1.449 5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.151 0.443 4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.208 3.001 5.127 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.336 0.802 8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.786 4.906 6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.717 2.998 9.066 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.937 5.050 8.393 1.00 0.00 H new ATOM 556 N LEU A 166 -5.993 -2.446 6.610 1.00 0.00 N ATOM 557 CA LEU A 166 -7.455 -2.327 6.431 1.00 0.00 C ATOM 558 C LEU A 166 -8.033 -1.938 7.781 1.00 0.00 C ATOM 559 O LEU A 166 -8.619 -0.894 7.923 1.00 0.00 O ATOM 560 CB LEU A 166 -8.030 -3.670 5.962 1.00 0.00 C ATOM 561 CG LEU A 166 -7.983 -3.743 4.434 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.724 -4.992 3.956 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.651 -2.500 3.843 1.00 0.00 C ATOM 0 H LEU A 166 -5.580 -3.319 6.281 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.705 -1.579 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.459 -4.492 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.057 -3.779 6.310 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.944 -3.790 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -8.689 -5.042 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -8.249 -5.879 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.763 -4.947 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.618 -2.552 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.689 -2.453 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.123 -1.608 4.180 1.00 0.00 H new ATOM 575 N GLY A 167 -7.814 -2.768 8.769 1.00 0.00 N ATOM 576 CA GLY A 167 -8.288 -2.481 10.168 1.00 0.00 C ATOM 577 C GLY A 167 -9.381 -1.407 10.184 1.00 0.00 C ATOM 578 O GLY A 167 -9.200 -0.351 10.756 1.00 0.00 O ATOM 0 H GLY A 167 -7.316 -3.653 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -8.671 -3.397 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.446 -2.153 10.778 1.00 0.00 H new ATOM 582 N SER A 168 -10.498 -1.665 9.550 1.00 0.00 N ATOM 583 CA SER A 168 -11.614 -0.663 9.503 1.00 0.00 C ATOM 584 C SER A 168 -11.452 0.215 8.261 1.00 0.00 C ATOM 585 O SER A 168 -12.360 0.345 7.465 1.00 0.00 O ATOM 586 CB SER A 168 -11.613 0.211 10.759 1.00 0.00 C ATOM 587 OG SER A 168 -12.950 0.573 11.080 1.00 0.00 O ATOM 0 H SER A 168 -10.689 -2.537 9.056 1.00 0.00 H new ATOM 0 HA SER A 168 -12.564 -1.196 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.160 -0.328 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.012 1.105 10.594 1.00 0.00 H new ATOM 0 HG SER A 168 -12.953 1.132 11.885 1.00 0.00 H new ATOM 593 N HIS A 169 -10.304 0.813 8.074 1.00 0.00 N ATOM 594 CA HIS A 169 -10.112 1.663 6.866 1.00 0.00 C ATOM 595 C HIS A 169 -10.026 0.758 5.636 1.00 0.00 C ATOM 596 O HIS A 169 -9.067 0.038 5.446 1.00 0.00 O ATOM 597 CB HIS A 169 -8.806 2.466 6.993 1.00 0.00 C ATOM 598 CG HIS A 169 -8.892 3.377 8.187 1.00 0.00 C ATOM 599 ND1 HIS A 169 -8.679 4.743 8.092 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.167 3.131 9.509 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.829 5.264 9.324 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.127 4.323 10.226 1.00 0.00 N ATOM 0 H HIS A 169 -9.500 0.750 8.699 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.950 2.354 6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.959 1.788 7.099 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.636 3.050 6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -9.382 2.160 9.929 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -8.722 6.313 9.556 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.290 4.451 11.225 1.00 0.00 H new ATOM 610 N SER A 170 -11.021 0.801 4.793 1.00 0.00 N ATOM 611 CA SER A 170 -11.001 -0.042 3.565 1.00 0.00 C ATOM 612 C SER A 170 -10.553 0.833 2.402 1.00 0.00 C ATOM 613 O SER A 170 -11.210 0.926 1.384 1.00 0.00 O ATOM 614 CB SER A 170 -12.402 -0.588 3.290 1.00 0.00 C ATOM 615 OG SER A 170 -13.063 -0.828 4.526 1.00 0.00 O ATOM 0 H SER A 170 -11.850 1.386 4.903 1.00 0.00 H new ATOM 0 HA SER A 170 -10.319 -0.882 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.971 0.124 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.339 -1.511 2.713 1.00 0.00 H new ATOM 0 HG SER A 170 -13.963 -1.177 4.354 1.00 0.00 H new ATOM 621 N THR A 171 -9.450 1.502 2.566 1.00 0.00 N ATOM 622 CA THR A 171 -8.959 2.407 1.499 1.00 0.00 C ATOM 623 C THR A 171 -7.432 2.363 1.430 1.00 0.00 C ATOM 624 O THR A 171 -6.776 1.617 2.129 1.00 0.00 O ATOM 625 CB THR A 171 -9.409 3.838 1.801 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.155 4.133 3.167 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.905 3.974 1.517 1.00 0.00 C ATOM 0 H THR A 171 -8.864 1.459 3.400 1.00 0.00 H new ATOM 0 HA THR A 171 -9.369 2.082 0.543 1.00 0.00 H new ATOM 0 HB THR A 171 -8.857 4.535 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.441 5.050 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.225 4.993 1.732 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.098 3.747 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.460 3.279 2.147 1.00 0.00 H new ATOM 635 N CYS A 172 -6.880 3.175 0.583 1.00 0.00 N ATOM 636 CA CYS A 172 -5.404 3.246 0.410 1.00 0.00 C ATOM 637 C CYS A 172 -4.800 3.858 1.684 1.00 0.00 C ATOM 638 O CYS A 172 -5.310 4.834 2.191 1.00 0.00 O ATOM 639 CB CYS A 172 -5.179 4.179 -0.772 1.00 0.00 C ATOM 640 SG CYS A 172 -3.519 4.043 -1.453 1.00 0.00 S ATOM 0 H CYS A 172 -7.404 3.813 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.947 2.271 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.907 3.954 -1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.356 5.208 -0.457 1.00 0.00 H new ATOM 0 HG CYS A 172 -3.055 2.849 -1.231 1.00 0.00 H new ATOM 645 N PRO A 173 -3.752 3.251 2.188 1.00 0.00 N ATOM 646 CA PRO A 173 -3.102 3.714 3.432 1.00 0.00 C ATOM 647 C PRO A 173 -2.267 4.971 3.257 1.00 0.00 C ATOM 648 O PRO A 173 -2.061 5.708 4.201 1.00 0.00 O ATOM 649 CB PRO A 173 -2.189 2.556 3.818 1.00 0.00 C ATOM 650 CG PRO A 173 -1.942 1.742 2.532 1.00 0.00 C ATOM 651 CD PRO A 173 -3.110 2.061 1.581 1.00 0.00 C ATOM 0 HA PRO A 173 -3.853 3.974 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.249 2.924 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.653 1.936 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.988 2.012 2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.900 0.675 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.757 2.270 0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.806 1.225 1.509 1.00 0.00 H new ATOM 659 N LEU A 174 -1.730 5.220 2.107 1.00 0.00 N ATOM 660 CA LEU A 174 -0.873 6.420 2.003 1.00 0.00 C ATOM 661 C LEU A 174 -1.680 7.655 1.606 1.00 0.00 C ATOM 662 O LEU A 174 -1.453 8.734 2.116 1.00 0.00 O ATOM 663 CB LEU A 174 0.233 6.176 0.973 1.00 0.00 C ATOM 664 CG LEU A 174 1.311 7.250 1.114 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.330 6.815 2.167 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.019 7.440 -0.230 1.00 0.00 C ATOM 0 H LEU A 174 -1.841 4.665 1.258 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.435 6.605 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.669 5.188 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.184 6.195 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 174 0.850 8.189 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.099 7.581 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.828 6.677 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.791 5.876 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.788 8.206 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.480 6.500 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.294 7.749 -0.983 1.00 0.00 H new ATOM 678 N CYS A 175 -2.617 7.526 0.716 1.00 0.00 N ATOM 679 CA CYS A 175 -3.409 8.722 0.327 1.00 0.00 C ATOM 680 C CYS A 175 -4.820 8.615 0.931 1.00 0.00 C ATOM 681 O CYS A 175 -5.324 9.569 1.482 1.00 0.00 O ATOM 682 CB CYS A 175 -3.443 8.838 -1.200 1.00 0.00 C ATOM 683 SG CYS A 175 -4.565 7.611 -1.886 1.00 0.00 S ATOM 0 H CYS A 175 -2.868 6.657 0.245 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.947 9.629 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.764 9.839 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.442 8.694 -1.606 1.00 0.00 H new ATOM 0 HG CYS A 175 -4.059 6.424 -1.728 1.00 0.00 H new ATOM 688 N ARG A 176 -5.432 7.449 0.839 1.00 0.00 N ATOM 689 CA ARG A 176 -6.801 7.201 1.407 1.00 0.00 C ATOM 690 C ARG A 176 -7.831 7.248 0.292 1.00 0.00 C ATOM 691 O ARG A 176 -8.955 7.676 0.469 1.00 0.00 O ATOM 692 CB ARG A 176 -7.154 8.198 2.513 1.00 0.00 C ATOM 693 CG ARG A 176 -6.112 8.082 3.631 1.00 0.00 C ATOM 694 CD ARG A 176 -6.652 8.730 4.906 1.00 0.00 C ATOM 695 NE ARG A 176 -6.454 7.805 6.056 1.00 0.00 N ATOM 696 CZ ARG A 176 -5.603 8.109 6.999 1.00 0.00 C ATOM 697 NH1 ARG A 176 -4.323 7.963 6.793 1.00 0.00 N ATOM 698 NH2 ARG A 176 -6.033 8.558 8.146 1.00 0.00 N ATOM 0 H ARG A 176 -5.023 6.636 0.378 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.803 6.211 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.170 9.213 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.151 7.992 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.877 7.034 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.184 8.568 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -6.139 9.674 5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -7.711 8.960 4.789 1.00 0.00 H new ATOM 0 HE ARG A 176 -6.983 6.934 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -3.988 7.612 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -3.658 8.200 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -7.034 8.672 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -5.368 8.795 8.882 1.00 0.00 H new ATOM 712 N LEU A 177 -7.448 6.763 -0.849 1.00 0.00 N ATOM 713 CA LEU A 177 -8.367 6.709 -1.999 1.00 0.00 C ATOM 714 C LEU A 177 -9.006 5.319 -2.018 1.00 0.00 C ATOM 715 O LEU A 177 -8.381 4.348 -2.399 1.00 0.00 O ATOM 716 CB LEU A 177 -7.562 6.919 -3.279 1.00 0.00 C ATOM 717 CG LEU A 177 -7.091 8.373 -3.372 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.940 8.472 -4.372 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.247 9.251 -3.852 1.00 0.00 C ATOM 0 H LEU A 177 -6.515 6.395 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.136 7.478 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.703 6.249 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.173 6.670 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.755 8.709 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.604 9.507 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.114 7.843 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.280 8.137 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.914 10.287 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.578 8.912 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -9.075 9.181 -3.146 1.00 0.00 H new