USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 168 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 169 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.15) USER MOD Set 2.1: A 134 CYS SG : rot 144:sc= 0.923 USER MOD Set 2.2: A 137 CYS SG : rot -59:sc= -3.23! USER MOD Set 2.3: A 158 HIS : no HD1:sc= -3.52! C(o=-7.1!,f=-8.9!) USER MOD Set 2.4: A 161 CYS SG : rot -172:sc= -1.3! USER MOD Set 3.1: A 153 CYS SG : rot -151:sc= -1.18! USER MOD Set 3.2: A 155 HIS :FLIP no HE2:sc= -0.23 F(o=-16,f=-15) USER MOD Set 3.3: A 172 CYS SG : rot 41:sc= -7.3! USER MOD Set 3.4: A 175 CYS SG : rot -62:sc= -6.56! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.232 3.140 -1.635 1.00 0.00 N ATOM 78 CA GLU A 133 7.632 2.687 -0.273 1.00 0.00 C ATOM 79 C GLU A 133 6.404 2.273 0.532 1.00 0.00 C ATOM 80 O GLU A 133 5.493 3.049 0.749 1.00 0.00 O ATOM 81 CB GLU A 133 8.355 3.817 0.462 1.00 0.00 C ATOM 82 CG GLU A 133 9.859 3.703 0.219 1.00 0.00 C ATOM 83 CD GLU A 133 10.234 4.468 -1.051 1.00 0.00 C ATOM 84 OE1 GLU A 133 10.183 3.871 -2.115 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.567 5.636 -0.940 1.00 0.00 O ATOM 0 HA GLU A 133 8.299 1.831 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.992 4.783 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.143 3.764 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.407 4.104 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.143 2.655 0.122 1.00 0.00 H new ATOM 92 N CYS A 134 6.388 1.056 0.993 1.00 0.00 N ATOM 93 CA CYS A 134 5.243 0.572 1.809 1.00 0.00 C ATOM 94 C CYS A 134 5.024 1.537 2.973 1.00 0.00 C ATOM 95 O CYS A 134 5.837 1.634 3.869 1.00 0.00 O ATOM 96 CB CYS A 134 5.597 -0.811 2.350 1.00 0.00 C ATOM 97 SG CYS A 134 4.136 -1.645 3.023 1.00 0.00 S ATOM 0 H CYS A 134 7.126 0.369 0.838 1.00 0.00 H new ATOM 0 HA CYS A 134 4.335 0.518 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.030 -1.416 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.356 -0.717 3.127 1.00 0.00 H new ATOM 0 HG CYS A 134 4.203 -2.916 2.761 1.00 0.00 H new ATOM 102 N ALA A 135 3.938 2.256 2.971 1.00 0.00 N ATOM 103 CA ALA A 135 3.687 3.210 4.083 1.00 0.00 C ATOM 104 C ALA A 135 3.425 2.429 5.374 1.00 0.00 C ATOM 105 O ALA A 135 3.306 2.998 6.440 1.00 0.00 O ATOM 106 CB ALA A 135 2.466 4.072 3.751 1.00 0.00 C ATOM 0 H ALA A 135 3.217 2.224 2.251 1.00 0.00 H new ATOM 0 HA ALA A 135 4.558 3.851 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.282 4.772 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.652 4.627 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.594 3.432 3.618 1.00 0.00 H new ATOM 112 N VAL A 136 3.321 1.130 5.284 1.00 0.00 N ATOM 113 CA VAL A 136 3.054 0.321 6.504 1.00 0.00 C ATOM 114 C VAL A 136 4.354 -0.283 7.049 1.00 0.00 C ATOM 115 O VAL A 136 4.791 0.059 8.131 1.00 0.00 O ATOM 116 CB VAL A 136 2.081 -0.799 6.155 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.815 -1.650 7.397 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.765 -0.192 5.660 1.00 0.00 C ATOM 0 H VAL A 136 3.410 0.597 4.419 1.00 0.00 H new ATOM 0 HA VAL A 136 2.625 0.967 7.270 1.00 0.00 H new ATOM 0 HB VAL A 136 2.511 -1.425 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.119 -2.451 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.752 -2.081 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.384 -1.026 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.067 -0.991 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.335 0.433 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.955 0.415 4.775 1.00 0.00 H new ATOM 128 N CYS A 137 4.981 -1.184 6.328 1.00 0.00 N ATOM 129 CA CYS A 137 6.239 -1.785 6.860 1.00 0.00 C ATOM 130 C CYS A 137 7.460 -1.027 6.323 1.00 0.00 C ATOM 131 O CYS A 137 8.567 -1.214 6.788 1.00 0.00 O ATOM 132 CB CYS A 137 6.339 -3.274 6.493 1.00 0.00 C ATOM 133 SG CYS A 137 6.845 -3.477 4.767 1.00 0.00 S ATOM 0 H CYS A 137 4.681 -1.521 5.413 1.00 0.00 H new ATOM 0 HA CYS A 137 6.218 -1.702 7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.057 -3.767 7.148 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.376 -3.758 6.654 1.00 0.00 H new ATOM 0 HG CYS A 137 5.976 -2.902 3.990 1.00 0.00 H new ATOM 138 N LEU A 138 7.272 -0.173 5.352 1.00 0.00 N ATOM 139 CA LEU A 138 8.425 0.590 4.799 1.00 0.00 C ATOM 140 C LEU A 138 9.499 -0.389 4.329 1.00 0.00 C ATOM 141 O LEU A 138 10.681 -0.154 4.485 1.00 0.00 O ATOM 142 CB LEU A 138 9.001 1.493 5.887 1.00 0.00 C ATOM 143 CG LEU A 138 8.066 2.681 6.117 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.246 3.204 7.543 1.00 0.00 C ATOM 145 CD2 LEU A 138 8.405 3.793 5.121 1.00 0.00 C ATOM 0 H LEU A 138 6.370 0.028 4.919 1.00 0.00 H new ATOM 0 HA LEU A 138 8.093 1.199 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.125 0.931 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.990 1.847 5.594 1.00 0.00 H new ATOM 0 HG LEU A 138 7.033 2.364 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.580 4.051 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.008 2.412 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.279 3.522 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 138 7.740 4.641 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 138 9.438 4.109 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 138 8.279 3.422 4.104 1.00 0.00 H new ATOM 157 N ALA A 139 9.096 -1.486 3.756 1.00 0.00 N ATOM 158 CA ALA A 139 10.090 -2.485 3.276 1.00 0.00 C ATOM 159 C ALA A 139 10.101 -2.494 1.746 1.00 0.00 C ATOM 160 O ALA A 139 9.088 -2.708 1.110 1.00 0.00 O ATOM 161 CB ALA A 139 9.710 -3.873 3.794 1.00 0.00 C ATOM 0 H ALA A 139 8.120 -1.735 3.599 1.00 0.00 H new ATOM 0 HA ALA A 139 11.081 -2.221 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.438 -4.604 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.701 -3.865 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.720 -4.140 3.425 1.00 0.00 H new ATOM 167 N GLU A 140 11.238 -2.265 1.150 1.00 0.00 N ATOM 168 CA GLU A 140 11.308 -2.261 -0.337 1.00 0.00 C ATOM 169 C GLU A 140 10.551 -3.472 -0.881 1.00 0.00 C ATOM 170 O GLU A 140 10.861 -4.605 -0.566 1.00 0.00 O ATOM 171 CB GLU A 140 12.771 -2.330 -0.781 1.00 0.00 C ATOM 172 CG GLU A 140 13.245 -0.935 -1.194 1.00 0.00 C ATOM 173 CD GLU A 140 14.415 -1.062 -2.172 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.350 -1.781 -1.857 1.00 0.00 O ATOM 175 OE2 GLU A 140 14.357 -0.438 -3.218 1.00 0.00 O ATOM 0 H GLU A 140 12.120 -2.081 1.628 1.00 0.00 H new ATOM 0 HA GLU A 140 10.858 -1.346 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.391 -2.711 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.877 -3.023 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.427 -0.384 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.552 -0.369 -0.315 1.00 0.00 H new ATOM 182 N LEU A 141 9.558 -3.244 -1.695 1.00 0.00 N ATOM 183 CA LEU A 141 8.779 -4.381 -2.258 1.00 0.00 C ATOM 184 C LEU A 141 9.721 -5.314 -3.021 1.00 0.00 C ATOM 185 O LEU A 141 10.024 -5.096 -4.177 1.00 0.00 O ATOM 186 CB LEU A 141 7.713 -3.838 -3.210 1.00 0.00 C ATOM 187 CG LEU A 141 6.621 -3.132 -2.405 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.016 -2.003 -3.242 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.526 -4.138 -2.042 1.00 0.00 C ATOM 0 H LEU A 141 9.252 -2.318 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 141 8.299 -4.934 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.163 -3.143 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.281 -4.652 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 141 7.053 -2.717 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.238 -1.501 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.795 -1.286 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.584 -2.417 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.747 -3.636 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.096 -4.552 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.955 -4.943 -1.445 1.00 0.00 H new ATOM 201 N GLU A 142 10.188 -6.353 -2.382 1.00 0.00 N ATOM 202 CA GLU A 142 11.111 -7.300 -3.070 1.00 0.00 C ATOM 203 C GLU A 142 10.302 -8.439 -3.696 1.00 0.00 C ATOM 204 O GLU A 142 9.109 -8.547 -3.497 1.00 0.00 O ATOM 205 CB GLU A 142 12.099 -7.879 -2.053 1.00 0.00 C ATOM 206 CG GLU A 142 13.078 -6.790 -1.611 1.00 0.00 C ATOM 207 CD GLU A 142 14.173 -7.410 -0.741 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.994 -8.131 -1.281 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.172 -7.150 0.452 1.00 0.00 O ATOM 0 H GLU A 142 9.970 -6.586 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 142 11.658 -6.770 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.560 -8.270 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.643 -8.714 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.521 -6.309 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.550 -6.016 -1.053 1.00 0.00 H new ATOM 216 N ASP A 143 10.943 -9.289 -4.451 1.00 0.00 N ATOM 217 CA ASP A 143 10.211 -10.420 -5.086 1.00 0.00 C ATOM 218 C ASP A 143 9.883 -11.474 -4.028 1.00 0.00 C ATOM 219 O ASP A 143 10.629 -11.680 -3.091 1.00 0.00 O ATOM 220 CB ASP A 143 11.085 -11.046 -6.175 1.00 0.00 C ATOM 221 CG ASP A 143 11.539 -9.963 -7.154 1.00 0.00 C ATOM 222 OD1 ASP A 143 11.076 -8.842 -7.023 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.343 -10.272 -8.018 1.00 0.00 O ATOM 0 H ASP A 143 11.942 -9.249 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 143 9.286 -10.050 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.952 -11.531 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.527 -11.818 -6.704 1.00 0.00 H new ATOM 228 N GLY A 144 8.771 -12.143 -4.168 1.00 0.00 N ATOM 229 CA GLY A 144 8.398 -13.184 -3.169 1.00 0.00 C ATOM 230 C GLY A 144 7.189 -12.708 -2.360 1.00 0.00 C ATOM 231 O GLY A 144 6.604 -13.457 -1.602 1.00 0.00 O ATOM 0 H GLY A 144 8.106 -12.014 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.164 -14.121 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.238 -13.382 -2.504 1.00 0.00 H new ATOM 235 N GLU A 145 6.810 -11.469 -2.514 1.00 0.00 N ATOM 236 CA GLU A 145 5.639 -10.949 -1.754 1.00 0.00 C ATOM 237 C GLU A 145 4.487 -10.666 -2.720 1.00 0.00 C ATOM 238 O GLU A 145 4.611 -10.835 -3.916 1.00 0.00 O ATOM 239 CB GLU A 145 6.031 -9.656 -1.036 1.00 0.00 C ATOM 240 CG GLU A 145 7.032 -9.972 0.077 1.00 0.00 C ATOM 241 CD GLU A 145 6.324 -9.913 1.433 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.118 -10.098 1.457 1.00 0.00 O ATOM 243 OE2 GLU A 145 6.999 -9.684 2.422 1.00 0.00 O ATOM 0 H GLU A 145 7.260 -10.795 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 145 5.324 -11.691 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.469 -8.953 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.146 -9.177 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.463 -10.961 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.855 -9.258 0.053 1.00 0.00 H new ATOM 250 N GLU A 146 3.366 -10.236 -2.210 1.00 0.00 N ATOM 251 CA GLU A 146 2.206 -9.943 -3.097 1.00 0.00 C ATOM 252 C GLU A 146 1.687 -8.532 -2.811 1.00 0.00 C ATOM 253 O GLU A 146 0.758 -8.346 -2.054 1.00 0.00 O ATOM 254 CB GLU A 146 1.093 -10.957 -2.832 1.00 0.00 C ATOM 255 CG GLU A 146 1.630 -12.374 -3.047 1.00 0.00 C ATOM 256 CD GLU A 146 0.618 -13.390 -2.516 1.00 0.00 C ATOM 257 OE1 GLU A 146 -0.500 -13.396 -3.004 1.00 0.00 O ATOM 258 OE2 GLU A 146 0.978 -14.146 -1.628 1.00 0.00 O ATOM 0 H GLU A 146 3.203 -10.075 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 146 2.520 -10.011 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.723 -10.848 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.251 -10.771 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 146 1.813 -12.548 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.585 -12.494 -2.535 1.00 0.00 H new ATOM 265 N ALA A 147 2.277 -7.537 -3.411 1.00 0.00 N ATOM 266 CA ALA A 147 1.810 -6.143 -3.168 1.00 0.00 C ATOM 267 C ALA A 147 0.432 -5.949 -3.800 1.00 0.00 C ATOM 268 O ALA A 147 -0.096 -6.829 -4.451 1.00 0.00 O ATOM 269 CB ALA A 147 2.803 -5.160 -3.792 1.00 0.00 C ATOM 0 H ALA A 147 3.061 -7.627 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 147 1.744 -5.962 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.464 -4.139 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.785 -5.299 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.868 -5.341 -4.865 1.00 0.00 H new ATOM 275 N ARG A 148 -0.155 -4.801 -3.612 1.00 0.00 N ATOM 276 CA ARG A 148 -1.494 -4.539 -4.194 1.00 0.00 C ATOM 277 C ARG A 148 -1.560 -3.071 -4.630 1.00 0.00 C ATOM 278 O ARG A 148 -1.365 -2.169 -3.841 1.00 0.00 O ATOM 279 CB ARG A 148 -2.561 -4.821 -3.130 1.00 0.00 C ATOM 280 CG ARG A 148 -2.374 -6.237 -2.581 1.00 0.00 C ATOM 281 CD ARG A 148 -3.676 -6.710 -1.932 1.00 0.00 C ATOM 282 NE ARG A 148 -4.763 -6.733 -2.952 1.00 0.00 N ATOM 283 CZ ARG A 148 -6.011 -6.775 -2.573 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.537 -5.758 -1.945 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.734 -7.833 -2.820 1.00 0.00 N ATOM 0 H ARG A 148 0.241 -4.029 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.670 -5.181 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.485 -4.093 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.556 -4.715 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.089 -6.915 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.565 -6.251 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.542 -7.704 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -3.947 -6.046 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 148 -4.531 -6.716 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -5.972 -4.931 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.512 -5.791 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -6.324 -8.628 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.709 -7.865 -2.523 1.00 0.00 H new ATOM 299 N PHE A 149 -1.825 -2.828 -5.884 1.00 0.00 N ATOM 300 CA PHE A 149 -1.895 -1.422 -6.379 1.00 0.00 C ATOM 301 C PHE A 149 -3.363 -0.983 -6.437 1.00 0.00 C ATOM 302 O PHE A 149 -4.241 -1.782 -6.694 1.00 0.00 O ATOM 303 CB PHE A 149 -1.283 -1.345 -7.780 1.00 0.00 C ATOM 304 CG PHE A 149 0.215 -1.506 -7.681 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.762 -2.727 -7.270 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.056 -0.433 -7.998 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.151 -2.875 -7.177 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.446 -0.581 -7.904 1.00 0.00 C ATOM 309 CZ PHE A 149 2.993 -1.802 -7.493 1.00 0.00 C ATOM 0 H PHE A 149 -1.997 -3.544 -6.590 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.342 -0.766 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.703 -2.125 -8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.528 -0.389 -8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.113 -3.555 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 149 0.633 0.509 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.573 -3.818 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.095 0.247 -8.149 1.00 0.00 H new ATOM 0 HZ PHE A 149 4.064 -1.916 -7.420 1.00 0.00 H new ATOM 319 N LEU A 150 -3.644 0.271 -6.198 1.00 0.00 N ATOM 320 CA LEU A 150 -5.065 0.727 -6.241 1.00 0.00 C ATOM 321 C LEU A 150 -5.327 1.497 -7.542 1.00 0.00 C ATOM 322 O LEU A 150 -4.405 1.944 -8.193 1.00 0.00 O ATOM 323 CB LEU A 150 -5.341 1.620 -5.034 1.00 0.00 C ATOM 324 CG LEU A 150 -4.724 0.978 -3.791 1.00 0.00 C ATOM 325 CD1 LEU A 150 -4.864 1.929 -2.605 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.449 -0.334 -3.480 1.00 0.00 C ATOM 0 H LEU A 150 -2.959 0.993 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.729 -0.137 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.919 2.612 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.415 1.749 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.669 0.776 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.424 1.472 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -4.348 2.864 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.920 2.131 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.009 -0.792 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.505 -0.132 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.350 -1.014 -4.326 1.00 0.00 H new ATOM 338 N PRO A 151 -6.583 1.609 -7.892 1.00 0.00 N ATOM 339 CA PRO A 151 -7.010 2.297 -9.127 1.00 0.00 C ATOM 340 C PRO A 151 -6.989 3.825 -8.970 1.00 0.00 C ATOM 341 O PRO A 151 -6.506 4.531 -9.832 1.00 0.00 O ATOM 342 CB PRO A 151 -8.442 1.798 -9.336 1.00 0.00 C ATOM 343 CG PRO A 151 -8.947 1.326 -7.951 1.00 0.00 C ATOM 344 CD PRO A 151 -7.697 1.059 -7.092 1.00 0.00 C ATOM 0 HA PRO A 151 -6.348 2.085 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.076 2.592 -9.731 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.467 0.981 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.579 2.085 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.551 0.424 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.769 1.548 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.564 -0.006 -6.903 1.00 0.00 H new ATOM 352 N ARG A 152 -7.522 4.345 -7.897 1.00 0.00 N ATOM 353 CA ARG A 152 -7.537 5.828 -7.729 1.00 0.00 C ATOM 354 C ARG A 152 -6.134 6.398 -7.901 1.00 0.00 C ATOM 355 O ARG A 152 -5.932 7.410 -8.542 1.00 0.00 O ATOM 356 CB ARG A 152 -7.970 6.195 -6.313 1.00 0.00 C ATOM 357 CG ARG A 152 -9.282 5.519 -5.926 1.00 0.00 C ATOM 358 CD ARG A 152 -10.038 6.422 -4.941 1.00 0.00 C ATOM 359 NE ARG A 152 -11.437 6.628 -5.411 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.664 7.119 -6.598 1.00 0.00 C ATOM 361 NH1 ARG A 152 -10.690 7.650 -7.284 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.870 7.083 -7.099 1.00 0.00 N ATOM 0 H ARG A 152 -7.944 3.813 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.223 6.230 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.191 5.905 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.082 7.276 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.889 5.339 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.085 4.548 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.041 5.970 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.530 7.382 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.219 6.384 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -9.749 7.682 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -10.870 8.033 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.633 6.671 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.048 7.467 -8.027 1.00 0.00 H new ATOM 376 N CYS A 153 -5.175 5.788 -7.273 1.00 0.00 N ATOM 377 CA CYS A 153 -3.788 6.323 -7.329 1.00 0.00 C ATOM 378 C CYS A 153 -2.806 5.308 -7.915 1.00 0.00 C ATOM 379 O CYS A 153 -2.036 5.619 -8.801 1.00 0.00 O ATOM 380 CB CYS A 153 -3.356 6.664 -5.903 1.00 0.00 C ATOM 381 SG CYS A 153 -3.896 5.345 -4.776 1.00 0.00 S ATOM 0 H CYS A 153 -5.290 4.938 -6.720 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.780 7.202 -7.974 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.273 6.776 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.788 7.617 -5.598 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.095 5.841 -3.591 1.00 0.00 H new ATOM 386 N GLY A 154 -2.796 4.111 -7.405 1.00 0.00 N ATOM 387 CA GLY A 154 -1.829 3.105 -7.908 1.00 0.00 C ATOM 388 C GLY A 154 -0.768 2.863 -6.831 1.00 0.00 C ATOM 389 O GLY A 154 0.121 2.053 -6.996 1.00 0.00 O ATOM 0 H GLY A 154 -3.416 3.787 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.343 2.174 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.361 3.457 -8.827 1.00 0.00 H new ATOM 393 N HIS A 155 -0.859 3.552 -5.716 1.00 0.00 N ATOM 394 CA HIS A 155 0.145 3.334 -4.636 1.00 0.00 C ATOM 395 C HIS A 155 0.242 1.830 -4.392 1.00 0.00 C ATOM 396 O HIS A 155 -0.735 1.188 -4.061 1.00 0.00 O ATOM 397 CB HIS A 155 -0.297 4.022 -3.336 1.00 0.00 C ATOM 398 CG HIS A 155 -0.104 5.517 -3.416 1.00 0.00 C ATOM 399 ND1 HIS A 155 0.919 6.288 -3.901 1.00 0.00 N flip ATOM 400 CD2 HIS A 155 -1.070 6.401 -2.942 1.00 0.00 C flip ATOM 401 CE1 HIS A 155 0.607 7.633 -3.737 1.00 0.00 C flip ATOM 402 NE2 HIS A 155 -0.597 7.646 -3.157 1.00 0.00 N flip ATOM 0 H HIS A 155 -1.578 4.247 -5.513 1.00 0.00 H new ATOM 0 HA HIS A 155 1.105 3.752 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.346 3.798 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.275 3.623 -2.498 1.00 0.00 H new ATOM 0 HD1 HIS A 155 1.778 5.930 -4.319 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -2.015 6.140 -2.490 1.00 0.00 H new ATOM 0 HE1 HIS A 155 1.209 8.485 -4.018 1.00 0.00 H new ATOM 409 N GLY A 156 1.394 1.255 -4.564 1.00 0.00 N ATOM 410 CA GLY A 156 1.514 -0.213 -4.353 1.00 0.00 C ATOM 411 C GLY A 156 1.966 -0.507 -2.921 1.00 0.00 C ATOM 412 O GLY A 156 2.950 0.019 -2.441 1.00 0.00 O ATOM 0 H GLY A 156 2.253 1.731 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.555 -0.695 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.229 -0.632 -5.061 1.00 0.00 H new ATOM 416 N PHE A 157 1.242 -1.355 -2.246 1.00 0.00 N ATOM 417 CA PHE A 157 1.589 -1.723 -0.843 1.00 0.00 C ATOM 418 C PHE A 157 1.748 -3.238 -0.782 1.00 0.00 C ATOM 419 O PHE A 157 1.799 -3.900 -1.792 1.00 0.00 O ATOM 420 CB PHE A 157 0.456 -1.271 0.090 1.00 0.00 C ATOM 421 CG PHE A 157 0.267 0.217 -0.055 1.00 0.00 C ATOM 422 CD1 PHE A 157 0.994 1.099 0.755 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.630 0.713 -1.003 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.819 2.480 0.614 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.804 2.092 -1.144 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.080 2.977 -0.336 1.00 0.00 C ATOM 0 H PHE A 157 0.410 -1.817 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 157 2.514 -1.239 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.468 -1.794 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.696 -1.521 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.688 0.714 1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.189 0.031 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.377 3.162 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.498 2.476 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.215 4.043 -0.446 1.00 0.00 H new ATOM 436 N HIS A 158 1.836 -3.797 0.381 1.00 0.00 N ATOM 437 CA HIS A 158 1.992 -5.272 0.471 1.00 0.00 C ATOM 438 C HIS A 158 0.621 -5.915 0.616 1.00 0.00 C ATOM 439 O HIS A 158 -0.320 -5.286 1.036 1.00 0.00 O ATOM 440 CB HIS A 158 2.829 -5.612 1.695 1.00 0.00 C ATOM 441 CG HIS A 158 4.278 -5.662 1.293 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.210 -4.825 1.864 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.953 -6.398 0.353 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.388 -5.059 1.266 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.291 -6.014 0.336 1.00 0.00 N ATOM 0 H HIS A 158 1.807 -3.303 1.273 1.00 0.00 H new ATOM 0 HA HIS A 158 2.481 -5.644 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.679 -4.865 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.519 -6.571 2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.514 -7.158 -0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.303 -4.539 1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.035 -6.381 -0.257 1.00 0.00 H new ATOM 452 N ALA A 159 0.495 -7.167 0.302 1.00 0.00 N ATOM 453 CA ALA A 159 -0.828 -7.814 0.476 1.00 0.00 C ATOM 454 C ALA A 159 -1.016 -8.031 1.978 1.00 0.00 C ATOM 455 O ALA A 159 -2.118 -8.049 2.490 1.00 0.00 O ATOM 456 CB ALA A 159 -0.853 -9.163 -0.247 1.00 0.00 C ATOM 0 H ALA A 159 1.237 -7.764 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.623 -7.194 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.829 -9.630 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.667 -9.010 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.081 -9.812 0.166 1.00 0.00 H new ATOM 462 N GLU A 160 0.078 -8.192 2.682 1.00 0.00 N ATOM 463 CA GLU A 160 0.016 -8.405 4.156 1.00 0.00 C ATOM 464 C GLU A 160 -0.071 -7.060 4.885 1.00 0.00 C ATOM 465 O GLU A 160 -0.877 -6.890 5.774 1.00 0.00 O ATOM 466 CB GLU A 160 1.271 -9.152 4.615 1.00 0.00 C ATOM 467 CG GLU A 160 1.218 -10.598 4.117 1.00 0.00 C ATOM 468 CD GLU A 160 1.582 -11.546 5.260 1.00 0.00 C ATOM 469 OE1 GLU A 160 2.745 -11.579 5.628 1.00 0.00 O ATOM 470 OE2 GLU A 160 0.692 -12.225 5.747 1.00 0.00 O ATOM 0 H GLU A 160 1.020 -8.184 2.291 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.871 -8.993 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.163 -8.657 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.340 -9.134 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.220 -10.829 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.909 -10.733 3.285 1.00 0.00 H new ATOM 477 N CYS A 161 0.749 -6.098 4.534 1.00 0.00 N ATOM 478 CA CYS A 161 0.675 -4.785 5.239 1.00 0.00 C ATOM 479 C CYS A 161 -0.604 -4.070 4.820 1.00 0.00 C ATOM 480 O CYS A 161 -1.265 -3.438 5.616 1.00 0.00 O ATOM 481 CB CYS A 161 1.873 -3.902 4.879 1.00 0.00 C ATOM 482 SG CYS A 161 3.395 -4.854 4.933 1.00 0.00 S ATOM 0 H CYS A 161 1.455 -6.165 3.801 1.00 0.00 H new ATOM 0 HA CYS A 161 0.683 -4.966 6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.736 -3.481 3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.936 -3.064 5.573 1.00 0.00 H new ATOM 0 HG CYS A 161 4.411 -4.057 4.786 1.00 0.00 H new ATOM 487 N VAL A 162 -0.949 -4.163 3.569 1.00 0.00 N ATOM 488 CA VAL A 162 -2.191 -3.486 3.086 1.00 0.00 C ATOM 489 C VAL A 162 -3.421 -4.136 3.738 1.00 0.00 C ATOM 490 O VAL A 162 -4.360 -3.464 4.120 1.00 0.00 O ATOM 491 CB VAL A 162 -2.288 -3.602 1.555 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.848 -4.973 1.162 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.219 -2.508 1.027 1.00 0.00 C ATOM 0 H VAL A 162 -0.429 -4.676 2.858 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.155 -2.432 3.360 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.293 -3.488 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.912 -5.042 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.190 -5.756 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.842 -5.097 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.292 -2.585 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.209 -2.629 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -2.820 -1.530 1.295 1.00 0.00 H new ATOM 503 N ASP A 163 -3.421 -5.437 3.864 1.00 0.00 N ATOM 504 CA ASP A 163 -4.588 -6.133 4.488 1.00 0.00 C ATOM 505 C ASP A 163 -4.658 -5.788 5.976 1.00 0.00 C ATOM 506 O ASP A 163 -5.691 -5.405 6.487 1.00 0.00 O ATOM 507 CB ASP A 163 -4.420 -7.646 4.320 1.00 0.00 C ATOM 508 CG ASP A 163 -4.959 -8.071 2.953 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.291 -7.197 2.171 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.029 -9.265 2.712 1.00 0.00 O ATOM 0 H ASP A 163 -2.663 -6.049 3.562 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.508 -5.810 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.368 -7.918 4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.953 -8.172 5.112 1.00 0.00 H new ATOM 515 N MET A 164 -3.565 -5.916 6.673 1.00 0.00 N ATOM 516 CA MET A 164 -3.561 -5.586 8.124 1.00 0.00 C ATOM 517 C MET A 164 -3.795 -4.086 8.279 1.00 0.00 C ATOM 518 O MET A 164 -4.263 -3.616 9.297 1.00 0.00 O ATOM 519 CB MET A 164 -2.207 -5.961 8.732 1.00 0.00 C ATOM 520 CG MET A 164 -2.223 -7.434 9.143 1.00 0.00 C ATOM 521 SD MET A 164 -1.968 -7.564 10.930 1.00 0.00 S ATOM 522 CE MET A 164 -3.685 -7.280 11.423 1.00 0.00 C ATOM 0 H MET A 164 -2.672 -6.236 6.299 1.00 0.00 H new ATOM 0 HA MET A 164 -4.346 -6.142 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.410 -5.783 8.010 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.999 -5.333 9.598 1.00 0.00 H new ATOM 0 HG2 MET A 164 -3.174 -7.890 8.866 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.442 -7.979 8.613 1.00 0.00 H new ATOM 0 HE1 MET A 164 -3.762 -7.317 12.510 1.00 0.00 H new ATOM 0 HE2 MET A 164 -4.008 -6.301 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 164 -4.321 -8.051 10.987 1.00 0.00 H new ATOM 532 N TRP A 165 -3.480 -3.334 7.261 1.00 0.00 N ATOM 533 CA TRP A 165 -3.687 -1.864 7.322 1.00 0.00 C ATOM 534 C TRP A 165 -5.167 -1.572 7.145 1.00 0.00 C ATOM 535 O TRP A 165 -5.651 -0.517 7.506 1.00 0.00 O ATOM 536 CB TRP A 165 -2.919 -1.182 6.191 1.00 0.00 C ATOM 537 CG TRP A 165 -3.319 0.260 6.123 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.315 0.765 5.347 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.754 1.388 6.848 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.379 2.137 5.548 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.442 2.563 6.465 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.716 1.505 7.791 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.112 3.807 6.996 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.383 2.758 8.330 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.079 3.908 7.932 1.00 0.00 C ATOM 0 H TRP A 165 -3.086 -3.679 6.386 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.332 -1.489 8.282 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.846 -1.266 6.362 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.131 -1.676 5.242 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -4.950 0.194 4.685 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.039 2.755 5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.172 0.625 8.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.652 4.690 6.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.586 2.836 9.055 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.818 4.870 8.348 1.00 0.00 H new ATOM 556 N LEU A 166 -5.895 -2.494 6.589 1.00 0.00 N ATOM 557 CA LEU A 166 -7.333 -2.253 6.393 1.00 0.00 C ATOM 558 C LEU A 166 -8.023 -2.411 7.738 1.00 0.00 C ATOM 559 O LEU A 166 -8.373 -1.441 8.364 1.00 0.00 O ATOM 560 CB LEU A 166 -7.879 -3.279 5.396 1.00 0.00 C ATOM 561 CG LEU A 166 -7.362 -2.954 3.994 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.379 -4.218 3.134 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.261 -1.896 3.356 1.00 0.00 C ATOM 0 H LEU A 166 -5.552 -3.398 6.265 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.511 -1.252 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.570 -4.283 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -8.969 -3.266 5.405 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.342 -2.577 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.010 -3.984 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.740 -4.976 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.399 -4.597 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.895 -1.662 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.280 -2.277 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.250 -0.993 3.967 1.00 0.00 H new ATOM 575 N GLY A 167 -8.163 -3.630 8.192 1.00 0.00 N ATOM 576 CA GLY A 167 -8.808 -3.902 9.523 1.00 0.00 C ATOM 577 C GLY A 167 -9.793 -2.781 9.894 1.00 0.00 C ATOM 578 O GLY A 167 -9.919 -2.427 11.048 1.00 0.00 O ATOM 0 H GLY A 167 -7.855 -4.464 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.333 -4.857 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.041 -3.987 10.293 1.00 0.00 H new ATOM 582 N SER A 168 -10.470 -2.224 8.913 1.00 0.00 N ATOM 583 CA SER A 168 -11.440 -1.106 9.154 1.00 0.00 C ATOM 584 C SER A 168 -11.357 -0.134 7.973 1.00 0.00 C ATOM 585 O SER A 168 -12.323 0.092 7.271 1.00 0.00 O ATOM 586 CB SER A 168 -11.094 -0.350 10.439 1.00 0.00 C ATOM 587 OG SER A 168 -11.577 0.984 10.344 1.00 0.00 O ATOM 0 H SER A 168 -10.388 -2.505 7.936 1.00 0.00 H new ATOM 0 HA SER A 168 -12.443 -1.520 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.539 -0.850 11.300 1.00 0.00 H new ATOM 0 HB3 SER A 168 -10.015 -0.348 10.594 1.00 0.00 H new ATOM 0 HG SER A 168 -11.358 1.470 11.166 1.00 0.00 H new ATOM 593 N HIS A 169 -10.201 0.442 7.745 1.00 0.00 N ATOM 594 CA HIS A 169 -10.048 1.394 6.609 1.00 0.00 C ATOM 595 C HIS A 169 -10.071 0.614 5.295 1.00 0.00 C ATOM 596 O HIS A 169 -9.155 -0.119 4.980 1.00 0.00 O ATOM 597 CB HIS A 169 -8.703 2.131 6.729 1.00 0.00 C ATOM 598 CG HIS A 169 -8.713 2.993 7.961 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.585 3.669 8.398 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.705 3.301 8.858 1.00 0.00 C ATOM 601 CE1 HIS A 169 -7.922 4.344 9.512 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.204 4.154 9.837 1.00 0.00 N ATOM 0 H HIS A 169 -9.358 0.291 8.299 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.864 2.117 6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.885 1.412 6.782 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.532 2.744 5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.721 2.937 8.811 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.240 4.964 10.075 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.707 4.549 10.631 1.00 0.00 H new ATOM 610 N SER A 170 -11.104 0.781 4.517 1.00 0.00 N ATOM 611 CA SER A 170 -11.183 0.067 3.213 1.00 0.00 C ATOM 612 C SER A 170 -10.645 1.000 2.136 1.00 0.00 C ATOM 613 O SER A 170 -11.260 1.207 1.109 1.00 0.00 O ATOM 614 CB SER A 170 -12.638 -0.288 2.907 1.00 0.00 C ATOM 615 OG SER A 170 -13.474 0.231 3.933 1.00 0.00 O ATOM 0 H SER A 170 -11.899 1.383 4.729 1.00 0.00 H new ATOM 0 HA SER A 170 -10.599 -0.853 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.930 0.124 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.754 -1.370 2.840 1.00 0.00 H new ATOM 0 HG SER A 170 -14.408 0.007 3.739 1.00 0.00 H new ATOM 621 N THR A 171 -9.506 1.585 2.382 1.00 0.00 N ATOM 622 CA THR A 171 -8.931 2.535 1.398 1.00 0.00 C ATOM 623 C THR A 171 -7.407 2.400 1.353 1.00 0.00 C ATOM 624 O THR A 171 -6.810 1.580 2.023 1.00 0.00 O ATOM 625 CB THR A 171 -9.295 3.965 1.806 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.779 4.231 3.101 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.817 4.127 1.820 1.00 0.00 C ATOM 0 H THR A 171 -8.950 1.444 3.225 1.00 0.00 H new ATOM 0 HA THR A 171 -9.337 2.310 0.412 1.00 0.00 H new ATOM 0 HB THR A 171 -8.865 4.665 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.010 5.147 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.072 5.146 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.214 3.924 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.251 3.427 2.534 1.00 0.00 H new ATOM 635 N CYS A 172 -6.790 3.219 0.556 1.00 0.00 N ATOM 636 CA CYS A 172 -5.306 3.213 0.406 1.00 0.00 C ATOM 637 C CYS A 172 -4.680 3.769 1.694 1.00 0.00 C ATOM 638 O CYS A 172 -5.161 4.745 2.232 1.00 0.00 O ATOM 639 CB CYS A 172 -5.013 4.145 -0.766 1.00 0.00 C ATOM 640 SG CYS A 172 -3.290 4.086 -1.292 1.00 0.00 S ATOM 0 H CYS A 172 -7.265 3.916 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.902 2.216 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.654 3.877 -1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.267 5.167 -0.484 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.873 2.855 -1.276 1.00 0.00 H new ATOM 645 N PRO A 173 -3.642 3.121 2.170 1.00 0.00 N ATOM 646 CA PRO A 173 -2.962 3.532 3.416 1.00 0.00 C ATOM 647 C PRO A 173 -2.102 4.775 3.256 1.00 0.00 C ATOM 648 O PRO A 173 -1.809 5.446 4.226 1.00 0.00 O ATOM 649 CB PRO A 173 -2.067 2.344 3.755 1.00 0.00 C ATOM 650 CG PRO A 173 -1.864 1.559 2.445 1.00 0.00 C ATOM 651 CD PRO A 173 -3.040 1.930 1.524 1.00 0.00 C ATOM 0 HA PRO A 173 -3.694 3.785 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.111 2.681 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.529 1.715 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.912 1.818 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.844 0.486 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.700 2.154 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.758 1.113 1.445 1.00 0.00 H new ATOM 659 N LEU A 174 -1.643 5.086 2.085 1.00 0.00 N ATOM 660 CA LEU A 174 -0.764 6.273 1.996 1.00 0.00 C ATOM 661 C LEU A 174 -1.555 7.531 1.635 1.00 0.00 C ATOM 662 O LEU A 174 -1.313 8.591 2.178 1.00 0.00 O ATOM 663 CB LEU A 174 0.327 6.030 0.950 1.00 0.00 C ATOM 664 CG LEU A 174 1.359 7.156 1.018 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.140 7.054 2.329 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.326 7.032 -0.161 1.00 0.00 C ATOM 0 H LEU A 174 -1.829 4.590 1.213 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.310 6.430 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.809 5.069 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.113 5.985 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 174 0.850 8.119 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.876 7.857 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.452 7.141 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.650 6.092 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 174 3.062 7.834 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.835 6.069 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.771 7.104 -1.096 1.00 0.00 H new ATOM 678 N CYS A 175 -2.499 7.443 0.744 1.00 0.00 N ATOM 679 CA CYS A 175 -3.277 8.663 0.398 1.00 0.00 C ATOM 680 C CYS A 175 -4.686 8.545 1.000 1.00 0.00 C ATOM 681 O CYS A 175 -5.179 9.479 1.595 1.00 0.00 O ATOM 682 CB CYS A 175 -3.308 8.844 -1.123 1.00 0.00 C ATOM 683 SG CYS A 175 -4.384 7.616 -1.882 1.00 0.00 S ATOM 0 H CYS A 175 -2.764 6.593 0.246 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.805 9.551 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.660 9.846 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.300 8.752 -1.527 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.918 6.426 -1.646 1.00 0.00 H new ATOM 688 N ARG A 176 -5.308 7.391 0.860 1.00 0.00 N ATOM 689 CA ARG A 176 -6.677 7.130 1.425 1.00 0.00 C ATOM 690 C ARG A 176 -7.709 7.226 0.317 1.00 0.00 C ATOM 691 O ARG A 176 -8.817 7.685 0.504 1.00 0.00 O ATOM 692 CB ARG A 176 -7.024 8.093 2.565 1.00 0.00 C ATOM 693 CG ARG A 176 -5.975 7.949 3.674 1.00 0.00 C ATOM 694 CD ARG A 176 -6.340 8.857 4.849 1.00 0.00 C ATOM 695 NE ARG A 176 -7.804 8.768 5.111 1.00 0.00 N ATOM 696 CZ ARG A 176 -8.425 9.761 5.689 1.00 0.00 C ATOM 697 NH1 ARG A 176 -8.758 10.814 4.994 1.00 0.00 N ATOM 698 NH2 ARG A 176 -8.715 9.698 6.960 1.00 0.00 N ATOM 0 H ARG A 176 -4.909 6.596 0.361 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.681 6.124 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.046 9.119 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.018 7.873 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.922 6.912 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.989 8.212 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -5.782 8.561 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -6.062 9.887 4.626 1.00 0.00 H new ATOM 0 HE ARG A 176 -8.321 7.932 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -8.533 10.861 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -9.243 11.590 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -8.457 8.873 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -9.200 10.473 7.411 1.00 0.00 H new ATOM 712 N LEU A 177 -7.343 6.755 -0.836 1.00 0.00 N ATOM 713 CA LEU A 177 -8.267 6.757 -1.984 1.00 0.00 C ATOM 714 C LEU A 177 -9.092 5.468 -1.934 1.00 0.00 C ATOM 715 O LEU A 177 -8.694 4.446 -2.459 1.00 0.00 O ATOM 716 CB LEU A 177 -7.442 6.792 -3.269 1.00 0.00 C ATOM 717 CG LEU A 177 -6.932 8.212 -3.520 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.808 8.174 -4.555 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.073 9.076 -4.056 1.00 0.00 C ATOM 0 H LEU A 177 -6.422 6.362 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.930 7.622 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.601 6.103 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.049 6.460 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.559 8.632 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.444 9.186 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.991 7.555 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.186 7.754 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.710 10.088 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.442 8.652 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.882 9.105 -3.326 1.00 0.00 H new