USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=12 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 -93:sc= 0.277 USER MOD Set 1.2: A 169 HIS :FLIP no HD1:sc= -0.0223 F(o=-1.5,f=0.26) USER MOD Set 2.1: A 134 CYS SG : rot 110:sc= 0.0962 USER MOD Set 2.2: A 137 CYS SG : rot -57:sc= -0.676 USER MOD Set 2.3: A 158 HIS : no HE2:sc= -2.06! C(o=-3.9!,f=-5.9!) USER MOD Set 2.4: A 161 CYS SG : rot -174:sc= -1.22 USER MOD Set 3.1: A 153 CYS SG : rot -151:sc= -0.209 USER MOD Set 3.2: A 155 HIS :FLIP no HE2:sc= -0.333 F(o=-11,f=-10) USER MOD Set 3.3: A 172 CYS SG : rot 159:sc= -2.93 USER MOD Set 3.4: A 175 CYS SG : rot -60:sc= -6.73! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.385 2.432 -2.221 1.00 0.00 N ATOM 78 CA GLU A 133 7.641 2.075 -0.798 1.00 0.00 C ATOM 79 C GLU A 133 6.323 1.905 -0.047 1.00 0.00 C ATOM 80 O GLU A 133 5.534 2.820 0.074 1.00 0.00 O ATOM 81 CB GLU A 133 8.461 3.173 -0.120 1.00 0.00 C ATOM 82 CG GLU A 133 9.950 2.851 -0.241 1.00 0.00 C ATOM 83 CD GLU A 133 10.521 3.528 -1.489 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.741 3.872 -2.363 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.728 3.690 -1.550 1.00 0.00 O ATOM 0 HA GLU A 133 8.194 1.136 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.249 4.137 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.181 3.254 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.480 3.195 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.096 1.772 -0.301 1.00 0.00 H new ATOM 92 N CYS A 134 6.101 0.739 0.485 1.00 0.00 N ATOM 93 CA CYS A 134 4.861 0.487 1.264 1.00 0.00 C ATOM 94 C CYS A 134 4.958 1.309 2.555 1.00 0.00 C ATOM 95 O CYS A 134 5.792 1.065 3.401 1.00 0.00 O ATOM 96 CB CYS A 134 4.774 -1.026 1.524 1.00 0.00 C ATOM 97 SG CYS A 134 3.941 -1.419 3.084 1.00 0.00 S ATOM 0 H CYS A 134 6.733 -0.059 0.413 1.00 0.00 H new ATOM 0 HA CYS A 134 3.954 0.787 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 134 4.240 -1.502 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.779 -1.447 1.537 1.00 0.00 H new ATOM 0 HG CYS A 134 2.784 -1.957 2.835 1.00 0.00 H new ATOM 102 N ALA A 135 4.139 2.319 2.678 1.00 0.00 N ATOM 103 CA ALA A 135 4.201 3.211 3.877 1.00 0.00 C ATOM 104 C ALA A 135 3.785 2.463 5.141 1.00 0.00 C ATOM 105 O ALA A 135 3.825 3.005 6.228 1.00 0.00 O ATOM 106 CB ALA A 135 3.264 4.401 3.665 1.00 0.00 C ATOM 0 H ALA A 135 3.423 2.568 1.995 1.00 0.00 H new ATOM 0 HA ALA A 135 5.228 3.553 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.304 5.055 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.575 4.955 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.244 4.041 3.528 1.00 0.00 H new ATOM 112 N VAL A 136 3.383 1.233 5.025 1.00 0.00 N ATOM 113 CA VAL A 136 2.969 0.485 6.240 1.00 0.00 C ATOM 114 C VAL A 136 4.207 -0.067 6.950 1.00 0.00 C ATOM 115 O VAL A 136 4.511 0.310 8.065 1.00 0.00 O ATOM 116 CB VAL A 136 2.053 -0.665 5.842 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.374 -1.227 7.093 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.986 -0.154 4.870 1.00 0.00 C ATOM 0 H VAL A 136 3.323 0.715 4.148 1.00 0.00 H new ATOM 0 HA VAL A 136 2.436 1.156 6.914 1.00 0.00 H new ATOM 0 HB VAL A 136 2.638 -1.448 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.717 -2.050 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.132 -1.588 7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.788 -0.443 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.330 -0.976 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.399 0.628 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.468 0.251 3.980 1.00 0.00 H new ATOM 128 N CYS A 137 4.925 -0.956 6.318 1.00 0.00 N ATOM 129 CA CYS A 137 6.139 -1.518 6.971 1.00 0.00 C ATOM 130 C CYS A 137 7.374 -0.729 6.525 1.00 0.00 C ATOM 131 O CYS A 137 8.357 -0.641 7.232 1.00 0.00 O ATOM 132 CB CYS A 137 6.319 -2.987 6.588 1.00 0.00 C ATOM 133 SG CYS A 137 6.787 -3.106 4.846 1.00 0.00 S ATOM 0 H CYS A 137 4.724 -1.315 5.384 1.00 0.00 H new ATOM 0 HA CYS A 137 6.019 -1.443 8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.086 -3.445 7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.394 -3.535 6.765 1.00 0.00 H new ATOM 0 HG CYS A 137 5.880 -2.532 4.113 1.00 0.00 H new ATOM 138 N LEU A 138 7.326 -0.165 5.346 1.00 0.00 N ATOM 139 CA LEU A 138 8.485 0.614 4.824 1.00 0.00 C ATOM 140 C LEU A 138 9.556 -0.351 4.314 1.00 0.00 C ATOM 141 O LEU A 138 10.737 -0.154 4.525 1.00 0.00 O ATOM 142 CB LEU A 138 9.063 1.492 5.932 1.00 0.00 C ATOM 143 CG LEU A 138 7.927 2.194 6.682 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.348 2.438 8.132 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.627 3.535 6.008 1.00 0.00 C ATOM 0 H LEU A 138 6.524 -0.212 4.717 1.00 0.00 H new ATOM 0 HA LEU A 138 8.153 1.252 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.647 0.884 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.742 2.231 5.506 1.00 0.00 H new ATOM 0 HG LEU A 138 7.036 1.567 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.540 2.938 8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.566 1.484 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.239 3.066 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.819 4.037 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.519 4.161 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.329 3.364 4.974 1.00 0.00 H new ATOM 157 N ALA A 139 9.152 -1.391 3.636 1.00 0.00 N ATOM 158 CA ALA A 139 10.140 -2.370 3.103 1.00 0.00 C ATOM 159 C ALA A 139 10.110 -2.333 1.573 1.00 0.00 C ATOM 160 O ALA A 139 9.109 -1.999 0.971 1.00 0.00 O ATOM 161 CB ALA A 139 9.780 -3.776 3.589 1.00 0.00 C ATOM 0 H ALA A 139 8.177 -1.605 3.428 1.00 0.00 H new ATOM 0 HA ALA A 139 11.139 -2.112 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.503 -4.492 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.797 -3.800 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.783 -4.039 3.236 1.00 0.00 H new ATOM 167 N GLU A 140 11.199 -2.670 0.938 1.00 0.00 N ATOM 168 CA GLU A 140 11.229 -2.649 -0.552 1.00 0.00 C ATOM 169 C GLU A 140 10.306 -3.739 -1.101 1.00 0.00 C ATOM 170 O GLU A 140 10.030 -4.723 -0.442 1.00 0.00 O ATOM 171 CB GLU A 140 12.658 -2.900 -1.040 1.00 0.00 C ATOM 172 CG GLU A 140 13.647 -2.179 -0.121 1.00 0.00 C ATOM 173 CD GLU A 140 15.012 -2.099 -0.805 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.049 -2.175 -2.023 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.999 -1.964 -0.101 1.00 0.00 O ATOM 0 H GLU A 140 12.069 -2.959 1.386 1.00 0.00 H new ATOM 0 HA GLU A 140 10.890 -1.675 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.868 -3.970 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.771 -2.544 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.284 -1.177 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.734 -2.711 0.827 1.00 0.00 H new ATOM 182 N LEU A 141 9.827 -3.576 -2.305 1.00 0.00 N ATOM 183 CA LEU A 141 8.925 -4.605 -2.893 1.00 0.00 C ATOM 184 C LEU A 141 9.751 -5.586 -3.728 1.00 0.00 C ATOM 185 O LEU A 141 10.082 -5.322 -4.867 1.00 0.00 O ATOM 186 CB LEU A 141 7.884 -3.925 -3.787 1.00 0.00 C ATOM 187 CG LEU A 141 6.800 -3.285 -2.918 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.855 -2.466 -3.797 1.00 0.00 C ATOM 189 CD2 LEU A 141 6.005 -4.380 -2.203 1.00 0.00 C ATOM 0 H LEU A 141 10.022 -2.775 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 141 8.418 -5.143 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.362 -3.166 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.438 -4.655 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 141 7.268 -2.633 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.083 -2.011 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.418 -1.684 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.389 -3.118 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.233 -3.924 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.539 -5.033 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.676 -4.965 -1.574 1.00 0.00 H new ATOM 201 N GLU A 142 10.089 -6.716 -3.169 1.00 0.00 N ATOM 202 CA GLU A 142 10.895 -7.713 -3.930 1.00 0.00 C ATOM 203 C GLU A 142 10.083 -8.996 -4.115 1.00 0.00 C ATOM 204 O GLU A 142 9.010 -9.149 -3.565 1.00 0.00 O ATOM 205 CB GLU A 142 12.177 -8.027 -3.155 1.00 0.00 C ATOM 206 CG GLU A 142 12.879 -6.720 -2.780 1.00 0.00 C ATOM 207 CD GLU A 142 14.384 -6.861 -3.018 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.875 -7.975 -2.933 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.018 -5.854 -3.281 1.00 0.00 O ATOM 0 H GLU A 142 9.842 -6.992 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 142 11.150 -7.304 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.941 -8.596 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.838 -8.647 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.482 -5.898 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.687 -6.479 -1.735 1.00 0.00 H new ATOM 216 N ASP A 143 10.588 -9.922 -4.885 1.00 0.00 N ATOM 217 CA ASP A 143 9.846 -11.195 -5.107 1.00 0.00 C ATOM 218 C ASP A 143 9.518 -11.836 -3.757 1.00 0.00 C ATOM 219 O ASP A 143 10.055 -11.461 -2.733 1.00 0.00 O ATOM 220 CB ASP A 143 10.711 -12.151 -5.931 1.00 0.00 C ATOM 221 CG ASP A 143 11.280 -11.410 -7.142 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.591 -10.545 -7.658 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.392 -11.720 -7.532 1.00 0.00 O ATOM 0 H ASP A 143 11.483 -9.851 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 143 8.920 -10.988 -5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.522 -12.544 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.117 -13.004 -6.259 1.00 0.00 H new ATOM 228 N GLY A 144 8.641 -12.802 -3.745 1.00 0.00 N ATOM 229 CA GLY A 144 8.280 -13.466 -2.461 1.00 0.00 C ATOM 230 C GLY A 144 7.210 -12.644 -1.739 1.00 0.00 C ATOM 231 O GLY A 144 6.765 -12.995 -0.664 1.00 0.00 O ATOM 0 H GLY A 144 8.159 -13.160 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 144 7.911 -14.473 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.164 -13.565 -1.830 1.00 0.00 H new ATOM 235 N GLU A 145 6.793 -11.550 -2.318 1.00 0.00 N ATOM 236 CA GLU A 145 5.754 -10.709 -1.661 1.00 0.00 C ATOM 237 C GLU A 145 4.635 -10.407 -2.659 1.00 0.00 C ATOM 238 O GLU A 145 4.771 -10.632 -3.845 1.00 0.00 O ATOM 239 CB GLU A 145 6.384 -9.398 -1.189 1.00 0.00 C ATOM 240 CG GLU A 145 7.268 -9.665 0.030 1.00 0.00 C ATOM 241 CD GLU A 145 6.570 -9.148 1.290 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.390 -9.416 1.441 1.00 0.00 O ATOM 243 OE2 GLU A 145 7.227 -8.492 2.081 1.00 0.00 O ATOM 0 H GLU A 145 7.127 -11.203 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 145 5.342 -11.243 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.976 -8.958 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.605 -8.679 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.465 -10.733 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.233 -9.173 -0.092 1.00 0.00 H new ATOM 250 N GLU A 146 3.532 -9.896 -2.189 1.00 0.00 N ATOM 251 CA GLU A 146 2.405 -9.577 -3.111 1.00 0.00 C ATOM 252 C GLU A 146 1.887 -8.171 -2.809 1.00 0.00 C ATOM 253 O GLU A 146 0.890 -7.996 -2.136 1.00 0.00 O ATOM 254 CB GLU A 146 1.277 -10.590 -2.908 1.00 0.00 C ATOM 255 CG GLU A 146 1.772 -11.987 -3.289 1.00 0.00 C ATOM 256 CD GLU A 146 2.184 -11.998 -4.763 1.00 0.00 C ATOM 257 OE1 GLU A 146 1.518 -11.343 -5.547 1.00 0.00 O ATOM 258 OE2 GLU A 146 3.157 -12.661 -5.080 1.00 0.00 O ATOM 0 H GLU A 146 3.361 -9.685 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 146 2.753 -9.624 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.947 -10.580 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.416 -10.319 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.618 -12.268 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.987 -12.723 -3.114 1.00 0.00 H new ATOM 265 N ALA A 147 2.557 -7.164 -3.298 1.00 0.00 N ATOM 266 CA ALA A 147 2.103 -5.771 -3.035 1.00 0.00 C ATOM 267 C ALA A 147 0.841 -5.483 -3.844 1.00 0.00 C ATOM 268 O ALA A 147 0.713 -5.887 -4.983 1.00 0.00 O ATOM 269 CB ALA A 147 3.206 -4.791 -3.438 1.00 0.00 C ATOM 0 H ALA A 147 3.399 -7.246 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 147 1.885 -5.655 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.874 -3.771 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.105 -4.996 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.426 -4.907 -4.499 1.00 0.00 H new ATOM 275 N ARG A 148 -0.094 -4.790 -3.260 1.00 0.00 N ATOM 276 CA ARG A 148 -1.351 -4.477 -3.987 1.00 0.00 C ATOM 277 C ARG A 148 -1.385 -2.987 -4.338 1.00 0.00 C ATOM 278 O ARG A 148 -1.317 -2.131 -3.478 1.00 0.00 O ATOM 279 CB ARG A 148 -2.543 -4.821 -3.088 1.00 0.00 C ATOM 280 CG ARG A 148 -2.404 -6.257 -2.578 1.00 0.00 C ATOM 281 CD ARG A 148 -3.719 -6.702 -1.937 1.00 0.00 C ATOM 282 NE ARG A 148 -4.862 -6.231 -2.769 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.530 -7.082 -3.500 1.00 0.00 C ATOM 284 NH1 ARG A 148 -4.921 -7.754 -4.439 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.805 -7.260 -3.293 1.00 0.00 N ATOM 0 H ARG A 148 -0.041 -4.427 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.401 -5.061 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.589 -4.129 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.474 -4.710 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.145 -6.923 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.594 -6.319 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.743 -7.788 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -3.799 -6.298 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 148 -5.122 -5.245 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -3.924 -7.614 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -5.442 -8.419 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -7.281 -6.734 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.326 -7.925 -3.864 1.00 0.00 H new ATOM 299 N PHE A 149 -1.501 -2.673 -5.601 1.00 0.00 N ATOM 300 CA PHE A 149 -1.553 -1.242 -6.021 1.00 0.00 C ATOM 301 C PHE A 149 -3.021 -0.847 -6.203 1.00 0.00 C ATOM 302 O PHE A 149 -3.839 -1.658 -6.591 1.00 0.00 O ATOM 303 CB PHE A 149 -0.811 -1.069 -7.348 1.00 0.00 C ATOM 304 CG PHE A 149 0.359 -2.022 -7.401 1.00 0.00 C ATOM 305 CD1 PHE A 149 1.593 -1.647 -6.858 1.00 0.00 C ATOM 306 CD2 PHE A 149 0.210 -3.281 -7.995 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.678 -2.530 -6.908 1.00 0.00 C ATOM 308 CE2 PHE A 149 1.295 -4.165 -8.046 1.00 0.00 C ATOM 309 CZ PHE A 149 2.529 -3.789 -7.503 1.00 0.00 C ATOM 0 H PHE A 149 -1.562 -3.349 -6.363 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.083 -0.612 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.487 -1.260 -8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -0.461 -0.042 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 149 1.708 -0.676 -6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -0.742 -3.571 -8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 149 3.630 -2.240 -6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 149 1.180 -5.136 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.366 -4.470 -7.543 1.00 0.00 H new ATOM 319 N LEU A 150 -3.380 0.379 -5.926 1.00 0.00 N ATOM 320 CA LEU A 150 -4.810 0.769 -6.091 1.00 0.00 C ATOM 321 C LEU A 150 -5.008 1.476 -7.438 1.00 0.00 C ATOM 322 O LEU A 150 -4.120 2.149 -7.923 1.00 0.00 O ATOM 323 CB LEU A 150 -5.228 1.687 -4.941 1.00 0.00 C ATOM 324 CG LEU A 150 -4.782 1.070 -3.610 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.519 1.751 -2.458 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.105 -0.428 -3.599 1.00 0.00 C ATOM 0 H LEU A 150 -2.756 1.116 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.433 -0.125 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.780 2.673 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.309 1.826 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.708 1.211 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.201 1.312 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.289 2.817 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.593 1.611 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.786 -0.862 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.179 -0.570 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.580 -0.919 -4.418 1.00 0.00 H new ATOM 338 N PRO A 151 -6.173 1.280 -8.009 1.00 0.00 N ATOM 339 CA PRO A 151 -6.537 1.861 -9.318 1.00 0.00 C ATOM 340 C PRO A 151 -6.927 3.337 -9.179 1.00 0.00 C ATOM 341 O PRO A 151 -7.281 3.986 -10.142 1.00 0.00 O ATOM 342 CB PRO A 151 -7.749 1.029 -9.750 1.00 0.00 C ATOM 343 CG PRO A 151 -8.354 0.431 -8.456 1.00 0.00 C ATOM 344 CD PRO A 151 -7.238 0.457 -7.397 1.00 0.00 C ATOM 0 HA PRO A 151 -5.715 1.834 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.480 1.649 -10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -7.452 0.240 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.215 1.012 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -8.703 -0.587 -8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.588 0.892 -6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -6.883 -0.548 -7.169 1.00 0.00 H new ATOM 352 N ARG A 152 -6.878 3.867 -7.990 1.00 0.00 N ATOM 353 CA ARG A 152 -7.261 5.293 -7.793 1.00 0.00 C ATOM 354 C ARG A 152 -6.033 6.180 -7.881 1.00 0.00 C ATOM 355 O ARG A 152 -6.030 7.223 -8.503 1.00 0.00 O ATOM 356 CB ARG A 152 -7.818 5.453 -6.387 1.00 0.00 C ATOM 357 CG ARG A 152 -8.575 4.197 -5.977 1.00 0.00 C ATOM 358 CD ARG A 152 -9.605 4.557 -4.917 1.00 0.00 C ATOM 359 NE ARG A 152 -10.890 4.910 -5.588 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.000 6.038 -6.235 1.00 0.00 C ATOM 361 NH1 ARG A 152 -10.950 7.170 -5.588 1.00 0.00 N ATOM 362 NH2 ARG A 152 -11.165 6.034 -7.531 1.00 0.00 N ATOM 0 H ARG A 152 -6.589 3.374 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 152 -7.988 5.571 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.006 5.643 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.482 6.316 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.067 3.755 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -7.882 3.451 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.754 3.719 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.251 5.395 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.683 4.270 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.825 7.174 -4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.036 8.051 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -11.208 5.149 -8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -11.251 6.916 -8.037 1.00 0.00 H new ATOM 376 N CYS A 153 -5.009 5.776 -7.208 1.00 0.00 N ATOM 377 CA CYS A 153 -3.761 6.582 -7.165 1.00 0.00 C ATOM 378 C CYS A 153 -2.587 5.782 -7.726 1.00 0.00 C ATOM 379 O CYS A 153 -1.830 6.263 -8.546 1.00 0.00 O ATOM 380 CB CYS A 153 -3.473 6.937 -5.704 1.00 0.00 C ATOM 381 SG CYS A 153 -3.845 5.505 -4.650 1.00 0.00 S ATOM 0 H CYS A 153 -4.976 4.907 -6.674 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.887 7.482 -7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.429 7.226 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -4.076 7.792 -5.400 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.209 5.916 -3.472 1.00 0.00 H new ATOM 386 N GLY A 154 -2.418 4.572 -7.276 1.00 0.00 N ATOM 387 CA GLY A 154 -1.281 3.753 -7.767 1.00 0.00 C ATOM 388 C GLY A 154 -0.314 3.499 -6.610 1.00 0.00 C ATOM 389 O GLY A 154 0.730 2.901 -6.786 1.00 0.00 O ATOM 0 H GLY A 154 -3.019 4.116 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -1.644 2.807 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -0.769 4.269 -8.579 1.00 0.00 H new ATOM 393 N HIS A 155 -0.654 3.932 -5.422 1.00 0.00 N ATOM 394 CA HIS A 155 0.255 3.686 -4.268 1.00 0.00 C ATOM 395 C HIS A 155 0.359 2.175 -4.081 1.00 0.00 C ATOM 396 O HIS A 155 -0.624 1.504 -3.837 1.00 0.00 O ATOM 397 CB HIS A 155 -0.307 4.318 -2.986 1.00 0.00 C ATOM 398 CG HIS A 155 -0.168 5.822 -3.021 1.00 0.00 C ATOM 399 ND1 HIS A 155 0.860 6.641 -3.410 1.00 0.00 N flip ATOM 400 CD2 HIS A 155 -1.201 6.662 -2.611 1.00 0.00 C flip ATOM 401 CE1 HIS A 155 0.485 7.969 -3.249 1.00 0.00 C flip ATOM 402 NE2 HIS A 155 -0.761 7.927 -2.768 1.00 0.00 N flip ATOM 0 H HIS A 155 -1.512 4.439 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 155 1.231 4.130 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.357 4.048 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.220 3.920 -2.119 1.00 0.00 H new ATOM 0 HD1 HIS A 155 1.763 6.324 -3.764 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -2.168 6.358 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 155 1.074 8.847 -3.466 1.00 0.00 H new ATOM 409 N GLY A 156 1.530 1.626 -4.215 1.00 0.00 N ATOM 410 CA GLY A 156 1.669 0.151 -4.069 1.00 0.00 C ATOM 411 C GLY A 156 2.048 -0.210 -2.635 1.00 0.00 C ATOM 412 O GLY A 156 3.036 0.254 -2.099 1.00 0.00 O ATOM 0 H GLY A 156 2.393 2.130 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.732 -0.337 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.430 -0.219 -4.757 1.00 0.00 H new ATOM 416 N PHE A 157 1.265 -1.048 -2.017 1.00 0.00 N ATOM 417 CA PHE A 157 1.556 -1.475 -0.622 1.00 0.00 C ATOM 418 C PHE A 157 1.737 -2.988 -0.619 1.00 0.00 C ATOM 419 O PHE A 157 1.796 -3.607 -1.660 1.00 0.00 O ATOM 420 CB PHE A 157 0.378 -1.073 0.275 1.00 0.00 C ATOM 421 CG PHE A 157 0.207 0.420 0.198 1.00 0.00 C ATOM 422 CD1 PHE A 157 0.933 1.256 1.056 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.670 0.968 -0.738 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.777 2.644 0.974 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.826 2.352 -0.820 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.104 3.191 0.036 1.00 0.00 C ATOM 0 H PHE A 157 0.426 -1.460 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 157 2.462 -0.999 -0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.533 -1.576 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.563 -1.380 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.612 0.830 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.228 0.321 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.336 3.291 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.505 2.776 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.227 4.262 -0.028 1.00 0.00 H new ATOM 436 N HIS A 158 1.836 -3.591 0.525 1.00 0.00 N ATOM 437 CA HIS A 158 2.024 -5.065 0.564 1.00 0.00 C ATOM 438 C HIS A 158 0.675 -5.758 0.658 1.00 0.00 C ATOM 439 O HIS A 158 -0.294 -5.184 1.090 1.00 0.00 O ATOM 440 CB HIS A 158 2.848 -5.430 1.791 1.00 0.00 C ATOM 441 CG HIS A 158 4.302 -5.436 1.416 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.201 -4.564 1.993 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.019 -6.168 0.502 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.398 -4.777 1.424 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.346 -5.748 0.508 1.00 0.00 N ATOM 0 H HIS A 158 1.795 -3.131 1.434 1.00 0.00 H new ATOM 0 HA HIS A 158 2.535 -5.384 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.668 -4.713 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.551 -6.409 2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 158 4.994 -3.880 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.615 -6.949 -0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.294 -4.230 1.676 1.00 0.00 H new ATOM 452 N ALA A 159 0.604 -7.001 0.291 1.00 0.00 N ATOM 453 CA ALA A 159 -0.689 -7.711 0.418 1.00 0.00 C ATOM 454 C ALA A 159 -0.890 -7.981 1.907 1.00 0.00 C ATOM 455 O ALA A 159 -1.998 -8.066 2.401 1.00 0.00 O ATOM 456 CB ALA A 159 -0.641 -9.033 -0.351 1.00 0.00 C ATOM 0 H ALA A 159 1.376 -7.550 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.506 -7.117 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.597 -9.547 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.444 -8.834 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 159 0.153 -9.661 0.054 1.00 0.00 H new ATOM 462 N GLU A 160 0.199 -8.106 2.622 1.00 0.00 N ATOM 463 CA GLU A 160 0.128 -8.359 4.087 1.00 0.00 C ATOM 464 C GLU A 160 -0.036 -7.034 4.841 1.00 0.00 C ATOM 465 O GLU A 160 -0.926 -6.889 5.650 1.00 0.00 O ATOM 466 CB GLU A 160 1.413 -9.051 4.546 1.00 0.00 C ATOM 467 CG GLU A 160 1.452 -10.476 3.991 1.00 0.00 C ATOM 468 CD GLU A 160 0.415 -11.335 4.715 1.00 0.00 C ATOM 469 OE1 GLU A 160 -0.141 -10.859 5.691 1.00 0.00 O ATOM 470 OE2 GLU A 160 0.193 -12.454 4.281 1.00 0.00 O ATOM 0 H GLU A 160 1.145 -8.042 2.245 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.729 -8.998 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.283 -8.491 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.458 -9.072 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.248 -10.466 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.447 -10.901 4.122 1.00 0.00 H new ATOM 477 N CYS A 161 0.813 -6.064 4.594 1.00 0.00 N ATOM 478 CA CYS A 161 0.670 -4.769 5.323 1.00 0.00 C ATOM 479 C CYS A 161 -0.648 -4.117 4.926 1.00 0.00 C ATOM 480 O CYS A 161 -1.340 -3.548 5.741 1.00 0.00 O ATOM 481 CB CYS A 161 1.809 -3.807 4.972 1.00 0.00 C ATOM 482 SG CYS A 161 3.400 -4.638 5.069 1.00 0.00 S ATOM 0 H CYS A 161 1.586 -6.113 3.930 1.00 0.00 H new ATOM 0 HA CYS A 161 0.698 -4.975 6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.661 -3.412 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.796 -2.957 5.654 1.00 0.00 H new ATOM 0 HG CYS A 161 4.353 -3.774 4.883 1.00 0.00 H new ATOM 487 N VAL A 162 -0.991 -4.188 3.673 1.00 0.00 N ATOM 488 CA VAL A 162 -2.267 -3.564 3.213 1.00 0.00 C ATOM 489 C VAL A 162 -3.455 -4.240 3.912 1.00 0.00 C ATOM 490 O VAL A 162 -4.440 -3.605 4.231 1.00 0.00 O ATOM 491 CB VAL A 162 -2.403 -3.716 1.692 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.837 -5.144 1.348 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.456 -2.731 1.178 1.00 0.00 C ATOM 0 H VAL A 162 -0.446 -4.650 2.945 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.258 -2.504 3.465 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.441 -3.509 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.932 -5.245 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.091 -5.849 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.798 -5.355 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.556 -2.836 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.414 -2.942 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.149 -1.713 1.417 1.00 0.00 H new ATOM 503 N ASP A 163 -3.371 -5.522 4.148 1.00 0.00 N ATOM 504 CA ASP A 163 -4.496 -6.236 4.822 1.00 0.00 C ATOM 505 C ASP A 163 -4.562 -5.820 6.294 1.00 0.00 C ATOM 506 O ASP A 163 -5.601 -5.440 6.795 1.00 0.00 O ATOM 507 CB ASP A 163 -4.269 -7.747 4.726 1.00 0.00 C ATOM 508 CG ASP A 163 -4.905 -8.280 3.441 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.225 -7.474 2.583 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.062 -9.485 3.336 1.00 0.00 O ATOM 0 H ASP A 163 -2.572 -6.107 3.903 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.435 -5.977 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.201 -7.966 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.703 -8.246 5.593 1.00 0.00 H new ATOM 515 N MET A 164 -3.460 -5.885 6.987 1.00 0.00 N ATOM 516 CA MET A 164 -3.456 -5.485 8.421 1.00 0.00 C ATOM 517 C MET A 164 -3.767 -3.992 8.517 1.00 0.00 C ATOM 518 O MET A 164 -4.229 -3.504 9.530 1.00 0.00 O ATOM 519 CB MET A 164 -2.078 -5.761 9.028 1.00 0.00 C ATOM 520 CG MET A 164 -1.883 -7.270 9.192 1.00 0.00 C ATOM 521 SD MET A 164 -3.163 -7.929 10.289 1.00 0.00 S ATOM 522 CE MET A 164 -2.437 -9.568 10.527 1.00 0.00 C ATOM 0 H MET A 164 -2.561 -6.198 6.622 1.00 0.00 H new ATOM 0 HA MET A 164 -4.207 -6.057 8.966 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.298 -5.351 8.387 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.989 -5.265 9.995 1.00 0.00 H new ATOM 0 HG2 MET A 164 -1.933 -7.762 8.220 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.895 -7.477 9.603 1.00 0.00 H new ATOM 0 HE1 MET A 164 -3.076 -10.157 11.185 1.00 0.00 H new ATOM 0 HE2 MET A 164 -2.348 -10.070 9.564 1.00 0.00 H new ATOM 0 HE3 MET A 164 -1.449 -9.467 10.976 1.00 0.00 H new ATOM 532 N TRP A 165 -3.517 -3.265 7.463 1.00 0.00 N ATOM 533 CA TRP A 165 -3.795 -1.804 7.478 1.00 0.00 C ATOM 534 C TRP A 165 -5.282 -1.577 7.264 1.00 0.00 C ATOM 535 O TRP A 165 -5.812 -0.530 7.580 1.00 0.00 O ATOM 536 CB TRP A 165 -3.033 -1.112 6.347 1.00 0.00 C ATOM 537 CG TRP A 165 -3.507 0.305 6.231 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.492 0.742 5.402 1.00 0.00 C ATOM 539 CD2 TRP A 165 -3.043 1.474 6.964 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.645 2.110 5.578 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.778 2.602 6.530 1.00 0.00 C ATOM 542 CE3 TRP A 165 -2.061 1.664 7.954 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.547 3.871 7.055 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.827 2.942 8.487 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.568 4.044 8.037 1.00 0.00 C ATOM 0 H TRP A 165 -3.131 -3.623 6.589 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.479 -1.394 8.437 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.962 -1.135 6.546 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.194 -1.640 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.061 0.127 4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.317 2.681 5.066 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.484 0.822 8.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -4.121 4.716 6.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -1.072 3.077 9.248 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.382 5.025 8.449 1.00 0.00 H new ATOM 556 N LEU A 166 -5.967 -2.538 6.719 1.00 0.00 N ATOM 557 CA LEU A 166 -7.408 -2.346 6.487 1.00 0.00 C ATOM 558 C LEU A 166 -8.134 -2.528 7.808 1.00 0.00 C ATOM 559 O LEU A 166 -8.540 -1.570 8.424 1.00 0.00 O ATOM 560 CB LEU A 166 -7.896 -3.389 5.477 1.00 0.00 C ATOM 561 CG LEU A 166 -7.293 -3.090 4.104 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.136 -4.395 3.321 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.216 -2.145 3.337 1.00 0.00 C ATOM 0 H LEU A 166 -5.589 -3.440 6.428 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.603 -1.349 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.608 -4.389 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -8.984 -3.374 5.419 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.317 -2.622 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -6.706 -4.183 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.478 -5.070 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.112 -4.863 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.786 -1.932 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.192 -2.613 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.329 -1.215 3.894 1.00 0.00 H new ATOM 575 N GLY A 167 -8.253 -3.749 8.258 1.00 0.00 N ATOM 576 CA GLY A 167 -8.939 -4.030 9.565 1.00 0.00 C ATOM 577 C GLY A 167 -10.024 -2.978 9.840 1.00 0.00 C ATOM 578 O GLY A 167 -10.266 -2.621 10.975 1.00 0.00 O ATOM 0 H GLY A 167 -7.902 -4.576 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.386 -5.024 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.208 -4.028 10.374 1.00 0.00 H new ATOM 582 N SER A 168 -10.657 -2.478 8.799 1.00 0.00 N ATOM 583 CA SER A 168 -11.717 -1.428 8.945 1.00 0.00 C ATOM 584 C SER A 168 -11.614 -0.465 7.756 1.00 0.00 C ATOM 585 O SER A 168 -12.551 -0.290 7.002 1.00 0.00 O ATOM 586 CB SER A 168 -11.522 -0.633 10.239 1.00 0.00 C ATOM 587 OG SER A 168 -12.157 0.633 10.112 1.00 0.00 O ATOM 0 H SER A 168 -10.477 -2.762 7.836 1.00 0.00 H new ATOM 0 HA SER A 168 -12.693 -1.912 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.942 -1.181 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 168 -10.459 -0.501 10.442 1.00 0.00 H new ATOM 0 HG SER A 168 -11.506 1.295 9.799 1.00 0.00 H new ATOM 593 N HIS A 169 -10.475 0.163 7.585 1.00 0.00 N ATOM 594 CA HIS A 169 -10.302 1.116 6.450 1.00 0.00 C ATOM 595 C HIS A 169 -10.211 0.338 5.137 1.00 0.00 C ATOM 596 O HIS A 169 -9.245 -0.352 4.876 1.00 0.00 O ATOM 597 CB HIS A 169 -9.004 1.921 6.646 1.00 0.00 C ATOM 598 CG HIS A 169 -9.127 2.773 7.880 1.00 0.00 C ATOM 599 ND1 HIS A 169 -9.780 2.575 9.071 1.00 0.00 N flip ATOM 600 CD2 HIS A 169 -8.524 4.018 7.981 1.00 0.00 C flip ATOM 601 CE1 HIS A 169 -9.588 3.677 9.899 1.00 0.00 C flip ATOM 602 NE2 HIS A 169 -8.824 4.515 9.195 1.00 0.00 N flip ATOM 0 H HIS A 169 -9.658 0.054 8.186 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.155 1.794 6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.154 1.245 6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.817 2.548 5.775 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -7.924 4.500 7.224 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -9.974 3.823 10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -8.506 5.422 9.536 1.00 0.00 H new ATOM 610 N SER A 170 -11.203 0.463 4.300 1.00 0.00 N ATOM 611 CA SER A 170 -11.174 -0.243 2.989 1.00 0.00 C ATOM 612 C SER A 170 -10.660 0.738 1.945 1.00 0.00 C ATOM 613 O SER A 170 -11.179 0.837 0.851 1.00 0.00 O ATOM 614 CB SER A 170 -12.586 -0.700 2.618 1.00 0.00 C ATOM 615 OG SER A 170 -12.538 -2.044 2.155 1.00 0.00 O ATOM 0 H SER A 170 -12.036 1.026 4.469 1.00 0.00 H new ATOM 0 HA SER A 170 -10.528 -1.119 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 170 -13.244 -0.625 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.999 -0.052 1.846 1.00 0.00 H new ATOM 0 HG SER A 170 -13.441 -2.341 1.918 1.00 0.00 H new ATOM 621 N THR A 171 -9.651 1.482 2.294 1.00 0.00 N ATOM 622 CA THR A 171 -9.100 2.484 1.351 1.00 0.00 C ATOM 623 C THR A 171 -7.574 2.399 1.322 1.00 0.00 C ATOM 624 O THR A 171 -6.962 1.583 1.982 1.00 0.00 O ATOM 625 CB THR A 171 -9.516 3.886 1.806 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.937 4.163 3.073 1.00 0.00 O ATOM 627 CG2 THR A 171 -11.039 3.960 1.914 1.00 0.00 C ATOM 0 H THR A 171 -9.183 1.437 3.199 1.00 0.00 H new ATOM 0 HA THR A 171 -9.488 2.283 0.352 1.00 0.00 H new ATOM 0 HB THR A 171 -9.170 4.620 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.201 5.061 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.333 4.958 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.483 3.749 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.388 3.226 2.640 1.00 0.00 H new ATOM 635 N CYS A 172 -6.971 3.254 0.553 1.00 0.00 N ATOM 636 CA CYS A 172 -5.489 3.286 0.432 1.00 0.00 C ATOM 637 C CYS A 172 -4.903 3.840 1.741 1.00 0.00 C ATOM 638 O CYS A 172 -5.415 4.803 2.276 1.00 0.00 O ATOM 639 CB CYS A 172 -5.186 4.223 -0.736 1.00 0.00 C ATOM 640 SG CYS A 172 -3.433 4.248 -1.148 1.00 0.00 S ATOM 0 H CYS A 172 -7.455 3.951 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.057 2.300 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.759 3.910 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.513 5.232 -0.485 1.00 0.00 H new ATOM 0 HG CYS A 172 -3.280 4.665 -2.370 1.00 0.00 H new ATOM 645 N PRO A 173 -3.866 3.203 2.240 1.00 0.00 N ATOM 646 CA PRO A 173 -3.229 3.608 3.510 1.00 0.00 C ATOM 647 C PRO A 173 -2.412 4.888 3.401 1.00 0.00 C ATOM 648 O PRO A 173 -2.152 5.532 4.397 1.00 0.00 O ATOM 649 CB PRO A 173 -2.303 2.443 3.848 1.00 0.00 C ATOM 650 CG PRO A 173 -2.051 1.687 2.529 1.00 0.00 C ATOM 651 CD PRO A 173 -3.223 2.032 1.595 1.00 0.00 C ATOM 0 HA PRO A 173 -3.987 3.817 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.366 2.803 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.759 1.787 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -1.101 1.987 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.997 0.612 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.875 2.271 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.917 1.197 1.501 1.00 0.00 H new ATOM 659 N LEU A 174 -1.960 5.261 2.246 1.00 0.00 N ATOM 660 CA LEU A 174 -1.131 6.485 2.213 1.00 0.00 C ATOM 661 C LEU A 174 -1.962 7.714 1.840 1.00 0.00 C ATOM 662 O LEU A 174 -1.789 8.774 2.407 1.00 0.00 O ATOM 663 CB LEU A 174 0.015 6.313 1.214 1.00 0.00 C ATOM 664 CG LEU A 174 1.074 7.389 1.462 1.00 0.00 C ATOM 665 CD1 LEU A 174 1.896 7.019 2.698 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.998 7.487 0.247 1.00 0.00 C ATOM 0 H LEU A 174 -2.120 4.793 1.354 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.725 6.641 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.457 5.322 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.363 6.388 0.194 1.00 0.00 H new ATOM 0 HG LEU A 174 0.584 8.349 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.651 7.785 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.239 6.949 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.385 6.058 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.752 8.254 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.488 6.527 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.413 7.750 -0.634 1.00 0.00 H new ATOM 678 N CYS A 175 -2.867 7.598 0.911 1.00 0.00 N ATOM 679 CA CYS A 175 -3.685 8.790 0.558 1.00 0.00 C ATOM 680 C CYS A 175 -5.102 8.598 1.114 1.00 0.00 C ATOM 681 O CYS A 175 -5.644 9.494 1.725 1.00 0.00 O ATOM 682 CB CYS A 175 -3.677 8.999 -0.958 1.00 0.00 C ATOM 683 SG CYS A 175 -4.640 7.716 -1.772 1.00 0.00 S ATOM 0 H CYS A 175 -3.074 6.747 0.389 1.00 0.00 H new ATOM 0 HA CYS A 175 -3.264 9.691 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -4.088 9.979 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.652 8.984 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 175 -4.123 6.553 -1.508 1.00 0.00 H new ATOM 688 N ARG A 176 -5.674 7.422 0.935 1.00 0.00 N ATOM 689 CA ARG A 176 -7.039 7.099 1.481 1.00 0.00 C ATOM 690 C ARG A 176 -8.107 7.211 0.399 1.00 0.00 C ATOM 691 O ARG A 176 -9.246 7.537 0.673 1.00 0.00 O ATOM 692 CB ARG A 176 -7.411 8.000 2.666 1.00 0.00 C ATOM 693 CG ARG A 176 -6.346 7.872 3.759 1.00 0.00 C ATOM 694 CD ARG A 176 -6.759 8.705 4.975 1.00 0.00 C ATOM 695 NE ARG A 176 -6.982 10.118 4.558 1.00 0.00 N ATOM 696 CZ ARG A 176 -7.646 10.930 5.336 1.00 0.00 C ATOM 697 NH1 ARG A 176 -7.186 11.220 6.522 1.00 0.00 N ATOM 698 NH2 ARG A 176 -8.771 11.451 4.926 1.00 0.00 N ATOM 0 H ARG A 176 -5.240 6.656 0.421 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.996 6.069 1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.488 9.037 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.387 7.717 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -6.227 6.827 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.381 8.212 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.668 8.297 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.985 8.659 5.741 1.00 0.00 H new ATOM 0 HE ARG A 176 -6.616 10.451 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.307 10.812 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -7.705 11.854 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -9.130 11.224 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -9.290 12.085 5.533 1.00 0.00 H new ATOM 712 N LEU A 177 -7.775 6.903 -0.822 1.00 0.00 N ATOM 713 CA LEU A 177 -8.797 6.952 -1.888 1.00 0.00 C ATOM 714 C LEU A 177 -9.581 5.637 -1.836 1.00 0.00 C ATOM 715 O LEU A 177 -9.170 4.645 -2.402 1.00 0.00 O ATOM 716 CB LEU A 177 -8.116 7.085 -3.253 1.00 0.00 C ATOM 717 CG LEU A 177 -7.352 8.403 -3.339 1.00 0.00 C ATOM 718 CD1 LEU A 177 -6.147 8.232 -4.264 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.278 9.474 -3.915 1.00 0.00 C ATOM 0 H LEU A 177 -6.842 6.621 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.459 7.805 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -7.433 6.250 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.863 7.038 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 177 -7.011 8.698 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.600 9.173 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.491 7.457 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.489 7.945 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.742 10.421 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.608 9.173 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -9.145 9.592 -3.266 1.00 0.00 H new