USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 321 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 299 CYS SG : rot -142:sc= -3.28! USER MOD Set 1.2: A 302 CYS SG : rot 180:sc= 0.0452 USER MOD Set 1.3: A 319 HIS : +bothHN:sc= 0.267 K(o=-5.9,f=-13!) USER MOD Set 1.4: A 322 CYS SG : rot 180:sc= -2.91! USER MOD Set 2.1: A 311 CYS SG : rot -131:sc= 0.662 USER MOD Set 2.2: A 314 CYS SG : rot -167:sc= 0.655 USER MOD Set 2.3: A 337 CYS SG : rot -57:sc= 1.21 USER MOD Set 2.4: A 339 SER OG : rot -75:sc= 0.451 USER MOD Set 2.5: A 340 CYS SG : rot 135:sc= 0.507 USER MOD Set 3.1: A 295 ASN : amide:sc= -3.17! X(o=-2.6!,f=-2.8) USER MOD Set 3.2: A 310 CYS SG : rot 135:sc= 0.613 USER MOD Single : A 324 SER OG : rot 42:sc= 0.177 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00487 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.531 -1.641 -1.023 1.00 0.00 N ATOM 86 CA ASN A 295 -5.343 -0.815 -0.956 1.00 0.00 C ATOM 87 C ASN A 295 -5.582 0.354 -0.019 1.00 0.00 C ATOM 88 O ASN A 295 -6.661 0.948 -0.023 1.00 0.00 O ATOM 89 CB ASN A 295 -4.962 -0.306 -2.354 1.00 0.00 C ATOM 90 CG ASN A 295 -4.542 -1.420 -3.295 1.00 0.00 C ATOM 91 OD1 ASN A 295 -4.750 -1.325 -4.500 1.00 0.00 O ATOM 92 ND2 ASN A 295 -3.934 -2.474 -2.770 1.00 0.00 N ATOM 0 HA ASN A 295 -4.518 -1.416 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -5.810 0.226 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.147 0.413 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.624 -3.237 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -3.776 -2.523 -1.764 1.00 0.00 H new ATOM 99 N GLU A 296 -4.583 0.676 0.779 1.00 0.00 N ATOM 100 CA GLU A 296 -4.700 1.744 1.756 1.00 0.00 C ATOM 101 C GLU A 296 -4.417 3.089 1.094 1.00 0.00 C ATOM 102 O GLU A 296 -3.444 3.237 0.356 1.00 0.00 O ATOM 103 CB GLU A 296 -3.740 1.489 2.920 1.00 0.00 C ATOM 104 CG GLU A 296 -3.876 2.476 4.064 1.00 0.00 C ATOM 105 CD GLU A 296 -3.145 2.016 5.309 1.00 0.00 C ATOM 106 OE1 GLU A 296 -1.896 2.059 5.331 1.00 0.00 O ATOM 107 OE2 GLU A 296 -3.815 1.597 6.276 1.00 0.00 O ATOM 0 H GLU A 296 -3.675 0.211 0.771 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.716 1.767 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -3.908 0.482 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.717 1.521 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.486 3.445 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -4.932 2.617 4.296 1.00 0.00 H new ATOM 114 N ASP A 297 -5.273 4.066 1.359 1.00 0.00 N ATOM 115 CA ASP A 297 -5.179 5.377 0.725 1.00 0.00 C ATOM 116 C ASP A 297 -4.196 6.279 1.477 1.00 0.00 C ATOM 117 O ASP A 297 -4.377 7.494 1.559 1.00 0.00 O ATOM 118 CB ASP A 297 -6.572 6.029 0.631 1.00 0.00 C ATOM 119 CG ASP A 297 -6.577 7.337 -0.150 1.00 0.00 C ATOM 120 OD1 ASP A 297 -6.413 7.302 -1.382 1.00 0.00 O ATOM 121 OD2 ASP A 297 -6.769 8.410 0.472 1.00 0.00 O ATOM 0 H ASP A 297 -6.048 3.975 2.015 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.797 5.244 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.261 5.329 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.947 6.214 1.638 1.00 0.00 H new ATOM 126 N GLU A 298 -3.147 5.691 2.033 1.00 0.00 N ATOM 127 CA GLU A 298 -2.158 6.464 2.755 1.00 0.00 C ATOM 128 C GLU A 298 -0.762 6.027 2.338 1.00 0.00 C ATOM 129 O GLU A 298 -0.458 4.836 2.313 1.00 0.00 O ATOM 130 CB GLU A 298 -2.303 6.294 4.269 1.00 0.00 C ATOM 131 CG GLU A 298 -3.667 6.667 4.813 1.00 0.00 C ATOM 132 CD GLU A 298 -3.629 6.921 6.300 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.209 6.019 7.059 1.00 0.00 O ATOM 134 OE2 GLU A 298 -3.992 8.037 6.723 1.00 0.00 O ATOM 0 H GLU A 298 -2.963 4.688 1.997 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.316 7.515 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.094 5.256 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.548 6.904 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.031 7.558 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.375 5.866 4.599 1.00 0.00 H new ATOM 141 N CYS A 299 0.074 6.990 2.009 1.00 0.00 N ATOM 142 CA CYS A 299 1.472 6.715 1.746 1.00 0.00 C ATOM 143 C CYS A 299 2.192 6.471 3.061 1.00 0.00 C ATOM 144 O CYS A 299 2.345 7.388 3.866 1.00 0.00 O ATOM 145 CB CYS A 299 2.133 7.871 0.998 1.00 0.00 C ATOM 146 SG CYS A 299 3.925 7.657 0.741 1.00 0.00 S ATOM 0 H CYS A 299 -0.190 7.971 1.917 1.00 0.00 H new ATOM 0 HA CYS A 299 1.538 5.828 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.648 7.988 0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.963 8.794 1.553 1.00 0.00 H new ATOM 0 HG CYS A 299 4.523 8.803 0.877 1.00 0.00 H new ATOM 151 N ALA A 300 2.603 5.226 3.272 1.00 0.00 N ATOM 152 CA ALA A 300 3.315 4.822 4.491 1.00 0.00 C ATOM 153 C ALA A 300 4.495 5.743 4.821 1.00 0.00 C ATOM 154 O ALA A 300 4.951 5.790 5.960 1.00 0.00 O ATOM 155 CB ALA A 300 3.795 3.384 4.359 1.00 0.00 C ATOM 0 H ALA A 300 2.455 4.466 2.608 1.00 0.00 H new ATOM 0 HA ALA A 300 2.608 4.903 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.322 3.092 5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.938 2.727 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.469 3.302 3.506 1.00 0.00 H new ATOM 161 N VAL A 301 4.987 6.466 3.822 1.00 0.00 N ATOM 162 CA VAL A 301 6.086 7.395 4.028 1.00 0.00 C ATOM 163 C VAL A 301 5.624 8.660 4.760 1.00 0.00 C ATOM 164 O VAL A 301 5.974 8.870 5.920 1.00 0.00 O ATOM 165 CB VAL A 301 6.741 7.789 2.687 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.878 8.777 2.903 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.243 6.551 1.950 1.00 0.00 C ATOM 0 H VAL A 301 4.641 6.425 2.863 1.00 0.00 H new ATOM 0 HA VAL A 301 6.822 6.882 4.647 1.00 0.00 H new ATOM 0 HB VAL A 301 5.983 8.275 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.321 9.037 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.492 9.678 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.637 8.325 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.701 6.850 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.981 6.036 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.406 5.882 1.751 1.00 0.00 H new ATOM 177 N CYS A 302 4.807 9.479 4.104 1.00 0.00 N ATOM 178 CA CYS A 302 4.478 10.804 4.633 1.00 0.00 C ATOM 179 C CYS A 302 3.033 10.891 5.122 1.00 0.00 C ATOM 180 O CYS A 302 2.537 11.979 5.416 1.00 0.00 O ATOM 181 CB CYS A 302 4.725 11.868 3.559 1.00 0.00 C ATOM 182 SG CYS A 302 3.805 11.581 2.020 1.00 0.00 S ATOM 0 H CYS A 302 4.363 9.254 3.214 1.00 0.00 H new ATOM 0 HA CYS A 302 5.125 10.981 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.452 12.845 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.791 11.903 3.333 1.00 0.00 H new ATOM 0 HG CYS A 302 4.073 12.529 1.171 1.00 0.00 H new ATOM 187 N ARG A 303 2.370 9.736 5.209 1.00 0.00 N ATOM 188 CA ARG A 303 1.014 9.629 5.765 1.00 0.00 C ATOM 189 C ARG A 303 -0.036 10.348 4.910 1.00 0.00 C ATOM 190 O ARG A 303 -1.156 10.577 5.359 1.00 0.00 O ATOM 191 CB ARG A 303 0.972 10.189 7.183 1.00 0.00 C ATOM 192 CG ARG A 303 2.028 9.610 8.106 1.00 0.00 C ATOM 193 CD ARG A 303 1.941 10.241 9.477 1.00 0.00 C ATOM 194 NE ARG A 303 3.086 9.902 10.321 1.00 0.00 N ATOM 195 CZ ARG A 303 3.075 9.987 11.650 1.00 0.00 C ATOM 196 NH1 ARG A 303 1.964 10.354 12.284 1.00 0.00 N ATOM 197 NH2 ARG A 303 4.168 9.696 12.348 1.00 0.00 N ATOM 0 H ARG A 303 2.756 8.845 4.896 1.00 0.00 H new ATOM 0 HA ARG A 303 0.768 8.567 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.096 11.271 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.013 9.998 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.895 8.531 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 303 3.019 9.779 7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.879 11.324 9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 303 1.023 9.915 9.966 1.00 0.00 H new ATOM 0 HE ARG A 303 3.941 9.582 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 303 1.121 10.570 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 303 1.955 10.419 13.302 1.00 0.00 H new ATOM 0 HH21 ARG A 303 5.019 9.406 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 303 4.156 9.762 13.366 1.00 0.00 H new ATOM 211 N ASP A 304 0.313 10.698 3.674 1.00 0.00 N ATOM 212 CA ASP A 304 -0.608 11.432 2.816 1.00 0.00 C ATOM 213 C ASP A 304 -1.083 10.560 1.659 1.00 0.00 C ATOM 214 O ASP A 304 -0.474 9.536 1.358 1.00 0.00 O ATOM 215 CB ASP A 304 0.058 12.701 2.279 1.00 0.00 C ATOM 216 CG ASP A 304 -0.906 13.559 1.482 1.00 0.00 C ATOM 217 OD1 ASP A 304 -2.001 13.868 2.005 1.00 0.00 O ATOM 218 OD2 ASP A 304 -0.588 13.919 0.328 1.00 0.00 O ATOM 0 H ASP A 304 1.216 10.487 3.250 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.475 11.715 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 304 0.455 13.281 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.904 12.427 1.649 1.00 0.00 H new ATOM 223 N GLY A 305 -2.173 10.968 1.013 1.00 0.00 N ATOM 224 CA GLY A 305 -2.721 10.203 -0.084 1.00 0.00 C ATOM 225 C GLY A 305 -2.663 10.965 -1.392 1.00 0.00 C ATOM 226 O GLY A 305 -1.626 11.523 -1.743 1.00 0.00 O ATOM 0 H GLY A 305 -2.686 11.821 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.170 9.268 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.756 9.941 0.138 1.00 0.00 H new ATOM 230 N GLY A 306 -3.778 11.001 -2.104 1.00 0.00 N ATOM 231 CA GLY A 306 -3.826 11.714 -3.371 1.00 0.00 C ATOM 232 C GLY A 306 -3.189 10.933 -4.501 1.00 0.00 C ATOM 233 O GLY A 306 -3.731 9.918 -4.944 1.00 0.00 O ATOM 0 H GLY A 306 -4.652 10.551 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.864 11.930 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -3.318 12.672 -3.264 1.00 0.00 H new ATOM 237 N GLU A 307 -2.031 11.400 -4.961 1.00 0.00 N ATOM 238 CA GLU A 307 -1.318 10.761 -6.059 1.00 0.00 C ATOM 239 C GLU A 307 -0.539 9.549 -5.566 1.00 0.00 C ATOM 240 O GLU A 307 0.682 9.598 -5.422 1.00 0.00 O ATOM 241 CB GLU A 307 -0.359 11.757 -6.716 1.00 0.00 C ATOM 242 CG GLU A 307 -1.052 12.910 -7.421 1.00 0.00 C ATOM 243 CD GLU A 307 -1.910 12.450 -8.578 1.00 0.00 C ATOM 244 OE1 GLU A 307 -1.352 11.940 -9.579 1.00 0.00 O ATOM 245 OE2 GLU A 307 -3.148 12.581 -8.491 1.00 0.00 O ATOM 0 H GLU A 307 -1.565 12.226 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.052 10.429 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.309 12.159 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.263 11.225 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -1.672 13.449 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -0.302 13.612 -7.786 1.00 0.00 H new ATOM 252 N LEU A 308 -1.246 8.462 -5.324 1.00 0.00 N ATOM 253 CA LEU A 308 -0.639 7.281 -4.747 1.00 0.00 C ATOM 254 C LEU A 308 -0.414 6.186 -5.772 1.00 0.00 C ATOM 255 O LEU A 308 -1.141 6.079 -6.764 1.00 0.00 O ATOM 256 CB LEU A 308 -1.509 6.726 -3.617 1.00 0.00 C ATOM 257 CG LEU A 308 -1.602 7.602 -2.374 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.515 6.955 -1.358 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.220 7.835 -1.793 1.00 0.00 C ATOM 0 H LEU A 308 -2.243 8.374 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 308 0.331 7.592 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.516 6.563 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.118 5.751 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 308 -2.021 8.570 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.578 7.586 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.509 6.833 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.117 5.979 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.300 8.462 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.227 6.878 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.407 8.332 -2.533 1.00 0.00 H new ATOM 271 N ILE A 309 0.604 5.389 -5.521 1.00 0.00 N ATOM 272 CA ILE A 309 0.843 4.168 -6.262 1.00 0.00 C ATOM 273 C ILE A 309 0.973 3.018 -5.264 1.00 0.00 C ATOM 274 O ILE A 309 1.868 3.014 -4.416 1.00 0.00 O ATOM 275 CB ILE A 309 2.101 4.269 -7.164 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.396 2.923 -7.833 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.309 4.750 -6.369 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.572 2.964 -8.789 1.00 0.00 C ATOM 0 H ILE A 309 1.294 5.572 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 309 0.003 3.989 -6.933 1.00 0.00 H new ATOM 0 HB ILE A 309 1.897 5.004 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.592 2.179 -7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.509 2.594 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.176 4.811 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.101 5.735 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.515 4.048 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.721 1.976 -9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.371 3.684 -9.582 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.470 3.262 -8.248 1.00 0.00 H new ATOM 290 N CYS A 310 0.053 2.073 -5.330 1.00 0.00 N ATOM 291 CA CYS A 310 0.024 0.977 -4.382 1.00 0.00 C ATOM 292 C CYS A 310 0.573 -0.289 -5.015 1.00 0.00 C ATOM 293 O CYS A 310 0.371 -0.546 -6.201 1.00 0.00 O ATOM 294 CB CYS A 310 -1.408 0.754 -3.895 1.00 0.00 C ATOM 295 SG CYS A 310 -2.633 0.701 -5.218 1.00 0.00 S ATOM 0 H CYS A 310 -0.686 2.044 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 310 0.653 1.230 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.450 -0.182 -3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.673 1.551 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.443 -0.296 -5.020 1.00 0.00 H new ATOM 301 N CYS A 311 1.297 -1.064 -4.216 1.00 0.00 N ATOM 302 CA CYS A 311 1.888 -2.300 -4.702 1.00 0.00 C ATOM 303 C CYS A 311 0.814 -3.305 -5.107 1.00 0.00 C ATOM 304 O CYS A 311 -0.210 -3.421 -4.437 1.00 0.00 O ATOM 305 CB CYS A 311 2.809 -2.901 -3.643 1.00 0.00 C ATOM 306 SG CYS A 311 3.651 -4.429 -4.169 1.00 0.00 S ATOM 0 H CYS A 311 1.487 -0.858 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 311 2.478 -2.065 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.561 -2.161 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.226 -3.111 -2.746 1.00 0.00 H new ATOM 0 HG CYS A 311 3.518 -5.337 -3.248 1.00 0.00 H new ATOM 311 N ASP A 312 1.048 -4.006 -6.203 1.00 0.00 N ATOM 312 CA ASP A 312 0.049 -4.920 -6.768 1.00 0.00 C ATOM 313 C ASP A 312 -0.497 -5.880 -5.703 1.00 0.00 C ATOM 314 O ASP A 312 -1.705 -5.914 -5.454 1.00 0.00 O ATOM 315 CB ASP A 312 0.623 -5.711 -7.943 1.00 0.00 C ATOM 316 CG ASP A 312 -0.437 -6.555 -8.627 1.00 0.00 C ATOM 317 OD1 ASP A 312 -1.206 -6.005 -9.449 1.00 0.00 O ATOM 318 OD2 ASP A 312 -0.505 -7.772 -8.349 1.00 0.00 O ATOM 0 H ASP A 312 1.922 -3.965 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.775 -4.308 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.061 -5.022 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 312 1.428 -6.355 -7.589 1.00 0.00 H new ATOM 323 N GLY A 313 0.388 -6.648 -5.085 1.00 0.00 N ATOM 324 CA GLY A 313 -0.041 -7.595 -4.071 1.00 0.00 C ATOM 325 C GLY A 313 0.057 -7.061 -2.651 1.00 0.00 C ATOM 326 O GLY A 313 -0.294 -7.758 -1.703 1.00 0.00 O ATOM 0 H GLY A 313 1.392 -6.634 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -1.073 -7.883 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 313 0.564 -8.498 -4.152 1.00 0.00 H new ATOM 330 N CYS A 314 0.536 -5.838 -2.497 1.00 0.00 N ATOM 331 CA CYS A 314 0.683 -5.243 -1.174 1.00 0.00 C ATOM 332 C CYS A 314 -0.223 -4.023 -1.026 1.00 0.00 C ATOM 333 O CYS A 314 -0.110 -3.064 -1.777 1.00 0.00 O ATOM 334 CB CYS A 314 2.140 -4.863 -0.907 1.00 0.00 C ATOM 335 SG CYS A 314 3.294 -6.271 -0.958 1.00 0.00 S ATOM 0 H CYS A 314 0.830 -5.237 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 314 0.383 -5.986 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.453 -4.123 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.207 -4.387 0.071 1.00 0.00 H new ATOM 0 HG CYS A 314 4.439 -5.912 -0.459 1.00 0.00 H new ATOM 340 N PRO A 315 -1.119 -4.044 -0.024 1.00 0.00 N ATOM 341 CA PRO A 315 -2.110 -2.978 0.199 1.00 0.00 C ATOM 342 C PRO A 315 -1.489 -1.602 0.461 1.00 0.00 C ATOM 343 O PRO A 315 -2.163 -0.580 0.333 1.00 0.00 O ATOM 344 CB PRO A 315 -2.881 -3.450 1.438 1.00 0.00 C ATOM 345 CG PRO A 315 -2.001 -4.462 2.091 1.00 0.00 C ATOM 346 CD PRO A 315 -1.243 -5.120 0.972 1.00 0.00 C ATOM 0 HA PRO A 315 -2.727 -2.835 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.090 -2.618 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.841 -3.885 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.321 -3.991 2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.589 -5.191 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.268 -5.479 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.780 -5.980 0.572 1.00 0.00 H new ATOM 354 N ARG A 316 -0.211 -1.584 0.819 1.00 0.00 N ATOM 355 CA ARG A 316 0.476 -0.340 1.159 1.00 0.00 C ATOM 356 C ARG A 316 0.681 0.538 -0.076 1.00 0.00 C ATOM 357 O ARG A 316 1.128 0.064 -1.131 1.00 0.00 O ATOM 358 CB ARG A 316 1.819 -0.632 1.823 1.00 0.00 C ATOM 359 CG ARG A 316 1.677 -1.387 3.128 1.00 0.00 C ATOM 360 CD ARG A 316 3.025 -1.732 3.734 1.00 0.00 C ATOM 361 NE ARG A 316 2.880 -2.558 4.927 1.00 0.00 N ATOM 362 CZ ARG A 316 3.545 -3.695 5.133 1.00 0.00 C ATOM 363 NH1 ARG A 316 4.420 -4.128 4.233 1.00 0.00 N ATOM 364 NH2 ARG A 316 3.339 -4.394 6.236 1.00 0.00 N ATOM 0 H ARG A 316 0.373 -2.418 0.882 1.00 0.00 H new ATOM 0 HA ARG A 316 -0.155 0.204 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.439 -1.212 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.340 0.308 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.105 -0.786 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.111 -2.303 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.632 -2.258 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.556 -0.815 3.988 1.00 0.00 H new ATOM 0 HE ARG A 316 2.230 -2.247 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.585 -3.590 3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 316 4.928 -4.998 4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 316 2.670 -4.064 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 316 3.849 -5.264 6.391 1.00 0.00 H new ATOM 378 N ALA A 317 0.349 1.817 0.064 1.00 0.00 N ATOM 379 CA ALA A 317 0.513 2.780 -1.016 1.00 0.00 C ATOM 380 C ALA A 317 1.654 3.744 -0.714 1.00 0.00 C ATOM 381 O ALA A 317 2.015 3.964 0.438 1.00 0.00 O ATOM 382 CB ALA A 317 -0.777 3.546 -1.243 1.00 0.00 C ATOM 0 H ALA A 317 -0.038 2.212 0.921 1.00 0.00 H new ATOM 0 HA ALA A 317 0.759 2.232 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.637 4.262 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.572 2.849 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.049 4.078 -0.332 1.00 0.00 H new ATOM 388 N PHE A 318 2.215 4.312 -1.773 1.00 0.00 N ATOM 389 CA PHE A 318 3.346 5.220 -1.653 1.00 0.00 C ATOM 390 C PHE A 318 3.250 6.330 -2.690 1.00 0.00 C ATOM 391 O PHE A 318 2.464 6.235 -3.626 1.00 0.00 O ATOM 392 CB PHE A 318 4.665 4.458 -1.844 1.00 0.00 C ATOM 393 CG PHE A 318 4.890 3.336 -0.867 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.394 3.592 0.398 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.601 2.027 -1.222 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.600 2.564 1.296 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.806 0.995 -0.322 1.00 0.00 C ATOM 398 CZ PHE A 318 5.306 1.263 0.931 1.00 0.00 C ATOM 0 H PHE A 318 1.902 4.158 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 318 3.325 5.659 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.691 4.052 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.492 5.164 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.628 4.607 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.214 1.811 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.990 2.775 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.573 -0.021 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.469 0.457 1.631 1.00 0.00 H new ATOM 408 N HIS A 319 4.030 7.384 -2.510 1.00 0.00 N ATOM 409 CA HIS A 319 4.159 8.424 -3.509 1.00 0.00 C ATOM 410 C HIS A 319 5.386 8.153 -4.363 1.00 0.00 C ATOM 411 O HIS A 319 6.382 7.617 -3.859 1.00 0.00 O ATOM 412 CB HIS A 319 4.288 9.812 -2.878 1.00 0.00 C ATOM 413 CG HIS A 319 3.030 10.340 -2.266 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.898 10.463 -0.906 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.903 10.798 -2.861 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.706 10.991 -0.703 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.066 11.213 -1.855 1.00 0.00 N ATOM 0 H HIS A 319 4.588 7.539 -1.670 1.00 0.00 H new ATOM 0 HA HIS A 319 3.255 8.412 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.062 9.777 -2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.627 10.513 -3.641 1.00 0.00 H new ATOM 0 HD1 HIS A 319 3.582 10.200 -0.196 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.702 10.831 -3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.299 11.216 0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.135 11.614 -1.966 1.00 0.00 H new ATOM 425 N LEU A 320 5.323 8.531 -5.637 1.00 0.00 N ATOM 426 CA LEU A 320 6.399 8.233 -6.585 1.00 0.00 C ATOM 427 C LEU A 320 7.765 8.670 -6.052 1.00 0.00 C ATOM 428 O LEU A 320 8.670 7.847 -5.907 1.00 0.00 O ATOM 429 CB LEU A 320 6.120 8.905 -7.928 1.00 0.00 C ATOM 430 CG LEU A 320 4.893 8.378 -8.677 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.694 9.146 -9.969 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.035 6.888 -8.958 1.00 0.00 C ATOM 0 H LEU A 320 4.539 9.045 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 320 6.428 7.152 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 320 5.993 9.975 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.995 8.784 -8.566 1.00 0.00 H new ATOM 0 HG LEU A 320 4.015 8.525 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.818 8.760 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.547 10.203 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.574 9.028 -10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.153 6.533 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.922 6.716 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.132 6.348 -8.016 1.00 0.00 H new ATOM 444 N ALA A 321 7.893 9.953 -5.727 1.00 0.00 N ATOM 445 CA ALA A 321 9.167 10.509 -5.282 1.00 0.00 C ATOM 446 C ALA A 321 9.526 10.046 -3.875 1.00 0.00 C ATOM 447 O ALA A 321 10.667 10.195 -3.430 1.00 0.00 O ATOM 448 CB ALA A 321 9.124 12.028 -5.340 1.00 0.00 C ATOM 0 H ALA A 321 7.129 10.628 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 321 9.941 10.144 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.080 12.432 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 321 8.933 12.348 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.328 12.394 -4.691 1.00 0.00 H new ATOM 454 N CYS A 322 8.555 9.489 -3.171 1.00 0.00 N ATOM 455 CA CYS A 322 8.784 9.008 -1.824 1.00 0.00 C ATOM 456 C CYS A 322 9.429 7.624 -1.830 1.00 0.00 C ATOM 457 O CYS A 322 9.967 7.178 -0.812 1.00 0.00 O ATOM 458 CB CYS A 322 7.481 8.994 -1.024 1.00 0.00 C ATOM 459 SG CYS A 322 6.797 10.655 -0.710 1.00 0.00 S ATOM 0 H CYS A 322 7.602 9.360 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 322 9.477 9.696 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.741 8.402 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.656 8.496 -0.070 1.00 0.00 H new ATOM 0 HG CYS A 322 5.694 10.549 -0.030 1.00 0.00 H new ATOM 464 N LEU A 323 9.359 6.933 -2.960 1.00 0.00 N ATOM 465 CA LEU A 323 10.109 5.690 -3.142 1.00 0.00 C ATOM 466 C LEU A 323 11.613 5.952 -3.147 1.00 0.00 C ATOM 467 O LEU A 323 12.054 7.084 -3.345 1.00 0.00 O ATOM 468 CB LEU A 323 9.717 4.991 -4.442 1.00 0.00 C ATOM 469 CG LEU A 323 8.639 3.911 -4.332 1.00 0.00 C ATOM 470 CD1 LEU A 323 9.054 2.836 -3.351 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.306 4.514 -3.936 1.00 0.00 C ATOM 0 H LEU A 323 8.794 7.208 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 323 9.861 5.042 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.373 5.748 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.611 4.539 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 323 8.523 3.450 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.272 2.079 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 323 9.981 2.373 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 323 9.208 3.280 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.557 3.726 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.404 5.010 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 323 6.998 5.241 -4.688 1.00 0.00 H new ATOM 483 N SER A 324 12.389 4.909 -2.891 1.00 0.00 N ATOM 484 CA SER A 324 13.833 4.969 -3.044 1.00 0.00 C ATOM 485 C SER A 324 14.337 3.716 -3.758 1.00 0.00 C ATOM 486 O SER A 324 14.253 2.614 -3.217 1.00 0.00 O ATOM 487 CB SER A 324 14.487 5.098 -1.668 1.00 0.00 C ATOM 488 OG SER A 324 13.931 4.167 -0.757 1.00 0.00 O ATOM 0 H SER A 324 12.038 4.005 -2.574 1.00 0.00 H new ATOM 0 HA SER A 324 14.097 5.839 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 324 15.561 4.932 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 324 14.350 6.111 -1.289 1.00 0.00 H new ATOM 0 HG SER A 324 13.818 3.301 -1.202 1.00 0.00 H new ATOM 494 N PRO A 325 14.850 3.847 -4.992 1.00 0.00 N ATOM 495 CA PRO A 325 14.973 5.133 -5.694 1.00 0.00 C ATOM 496 C PRO A 325 13.614 5.737 -6.058 1.00 0.00 C ATOM 497 O PRO A 325 12.658 5.010 -6.338 1.00 0.00 O ATOM 498 CB PRO A 325 15.746 4.769 -6.963 1.00 0.00 C ATOM 499 CG PRO A 325 15.478 3.323 -7.181 1.00 0.00 C ATOM 500 CD PRO A 325 15.351 2.723 -5.806 1.00 0.00 C ATOM 0 HA PRO A 325 15.462 5.886 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.411 5.364 -7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.813 4.958 -6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.565 3.176 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.288 2.854 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.660 1.880 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 325 16.308 2.354 -5.438 1.00 0.00 H new ATOM 508 N PRO A 326 13.522 7.075 -6.035 1.00 0.00 N ATOM 509 CA PRO A 326 12.276 7.796 -6.328 1.00 0.00 C ATOM 510 C PRO A 326 11.788 7.571 -7.747 1.00 0.00 C ATOM 511 O PRO A 326 12.539 7.742 -8.715 1.00 0.00 O ATOM 512 CB PRO A 326 12.647 9.270 -6.115 1.00 0.00 C ATOM 513 CG PRO A 326 14.132 9.318 -6.239 1.00 0.00 C ATOM 514 CD PRO A 326 14.630 7.994 -5.734 1.00 0.00 C ATOM 0 HA PRO A 326 11.459 7.454 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.168 9.908 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.322 9.621 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.433 9.479 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.546 10.140 -5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.549 7.693 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.846 8.027 -4.666 1.00 0.00 H new ATOM 522 N LEU A 327 10.530 7.183 -7.876 1.00 0.00 N ATOM 523 CA LEU A 327 9.924 6.950 -9.168 1.00 0.00 C ATOM 524 C LEU A 327 9.502 8.268 -9.800 1.00 0.00 C ATOM 525 O LEU A 327 9.038 9.177 -9.110 1.00 0.00 O ATOM 526 CB LEU A 327 8.708 6.035 -9.026 1.00 0.00 C ATOM 527 CG LEU A 327 8.989 4.659 -8.423 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.694 3.884 -8.263 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.968 3.885 -9.290 1.00 0.00 C ATOM 0 H LEU A 327 9.904 7.022 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 327 10.660 6.467 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.966 6.539 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.262 5.897 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 327 9.439 4.796 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.906 2.905 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 327 7.021 4.432 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.223 3.757 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 327 10.155 2.908 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.547 3.754 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.905 4.437 -9.362 1.00 0.00 H new ATOM 541 N ARG A 328 9.672 8.366 -11.105 1.00 0.00 N ATOM 542 CA ARG A 328 9.290 9.567 -11.827 1.00 0.00 C ATOM 543 C ARG A 328 7.981 9.334 -12.564 1.00 0.00 C ATOM 544 O ARG A 328 7.239 10.274 -12.849 1.00 0.00 O ATOM 545 CB ARG A 328 10.392 9.985 -12.804 1.00 0.00 C ATOM 546 CG ARG A 328 10.621 8.997 -13.938 1.00 0.00 C ATOM 547 CD ARG A 328 11.797 9.411 -14.804 1.00 0.00 C ATOM 548 NE ARG A 328 11.924 8.574 -15.999 1.00 0.00 N ATOM 549 CZ ARG A 328 12.945 7.749 -16.222 1.00 0.00 C ATOM 550 NH1 ARG A 328 13.913 7.615 -15.327 1.00 0.00 N ATOM 551 NH2 ARG A 328 12.999 7.058 -17.348 1.00 0.00 N ATOM 0 H ARG A 328 10.072 7.630 -11.687 1.00 0.00 H new ATOM 0 HA ARG A 328 9.151 10.376 -11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.138 10.957 -13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 328 11.324 10.112 -12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 328 10.802 8.004 -13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 328 9.722 8.929 -14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 328 11.678 10.452 -15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 328 12.715 9.350 -14.220 1.00 0.00 H new ATOM 0 HE ARG A 328 11.187 8.626 -16.702 1.00 0.00 H new ATOM 0 HH11 ARG A 328 13.880 8.147 -14.457 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.691 6.980 -15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.260 7.158 -18.043 1.00 0.00 H new ATOM 0 HH22 ARG A 328 13.780 6.425 -17.521 1.00 0.00 H new ATOM 565 N GLU A 329 7.703 8.076 -12.867 1.00 0.00 N ATOM 566 CA GLU A 329 6.508 7.698 -13.603 1.00 0.00 C ATOM 567 C GLU A 329 5.930 6.411 -13.015 1.00 0.00 C ATOM 568 O GLU A 329 6.676 5.554 -12.536 1.00 0.00 O ATOM 569 CB GLU A 329 6.869 7.493 -15.074 1.00 0.00 C ATOM 570 CG GLU A 329 5.699 7.088 -15.955 1.00 0.00 C ATOM 571 CD GLU A 329 6.131 6.747 -17.362 1.00 0.00 C ATOM 572 OE1 GLU A 329 6.624 5.621 -17.577 1.00 0.00 O ATOM 573 OE2 GLU A 329 5.976 7.605 -18.267 1.00 0.00 O ATOM 0 H GLU A 329 8.299 7.289 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 329 5.759 8.486 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.299 8.416 -15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 329 7.642 6.728 -15.143 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.195 6.228 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 329 4.973 7.900 -15.987 1.00 0.00 H new ATOM 580 N ILE A 330 4.610 6.285 -13.042 1.00 0.00 N ATOM 581 CA ILE A 330 3.952 5.058 -12.612 1.00 0.00 C ATOM 582 C ILE A 330 4.137 3.970 -13.671 1.00 0.00 C ATOM 583 O ILE A 330 3.650 4.095 -14.802 1.00 0.00 O ATOM 584 CB ILE A 330 2.439 5.279 -12.361 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.236 6.314 -11.251 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.756 3.965 -12.009 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.782 6.626 -10.963 1.00 0.00 C ATOM 0 H ILE A 330 3.974 7.017 -13.357 1.00 0.00 H new ATOM 0 HA ILE A 330 4.411 4.747 -11.674 1.00 0.00 H new ATOM 0 HB ILE A 330 1.984 5.659 -13.276 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.707 5.951 -10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.747 7.236 -11.529 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.694 4.142 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.878 3.260 -12.831 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.206 3.551 -11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.720 7.367 -10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.309 7.020 -11.863 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.269 5.716 -10.653 1.00 0.00 H new ATOM 599 N PRO A 331 4.865 2.895 -13.314 1.00 0.00 N ATOM 600 CA PRO A 331 5.146 1.782 -14.232 1.00 0.00 C ATOM 601 C PRO A 331 3.878 1.034 -14.625 1.00 0.00 C ATOM 602 O PRO A 331 2.944 0.913 -13.828 1.00 0.00 O ATOM 603 CB PRO A 331 6.069 0.863 -13.421 1.00 0.00 C ATOM 604 CG PRO A 331 6.563 1.697 -12.285 1.00 0.00 C ATOM 605 CD PRO A 331 5.469 2.679 -11.994 1.00 0.00 C ATOM 0 HA PRO A 331 5.586 2.129 -15.167 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.531 -0.014 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.897 0.500 -14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.778 1.081 -11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.488 2.209 -12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.748 2.281 -11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.859 3.605 -11.571 1.00 0.00 H new ATOM 613 N SER A 332 3.855 0.528 -15.841 1.00 0.00 N ATOM 614 CA SER A 332 2.698 -0.190 -16.349 1.00 0.00 C ATOM 615 C SER A 332 2.734 -1.651 -15.907 1.00 0.00 C ATOM 616 O SER A 332 3.807 -2.237 -15.760 1.00 0.00 O ATOM 617 CB SER A 332 2.665 -0.098 -17.879 1.00 0.00 C ATOM 618 OG SER A 332 2.676 1.257 -18.300 1.00 0.00 O ATOM 0 H SER A 332 4.629 0.600 -16.502 1.00 0.00 H new ATOM 0 HA SER A 332 1.795 0.266 -15.943 1.00 0.00 H new ATOM 0 HB2 SER A 332 3.524 -0.621 -18.298 1.00 0.00 H new ATOM 0 HB3 SER A 332 1.772 -0.595 -18.259 1.00 0.00 H new ATOM 0 HG SER A 332 2.656 1.296 -19.279 1.00 0.00 H new ATOM 624 N GLY A 333 1.560 -2.220 -15.681 1.00 0.00 N ATOM 625 CA GLY A 333 1.473 -3.606 -15.271 1.00 0.00 C ATOM 626 C GLY A 333 1.359 -3.750 -13.770 1.00 0.00 C ATOM 627 O GLY A 333 0.482 -3.146 -13.147 1.00 0.00 O ATOM 0 H GLY A 333 0.662 -1.745 -15.775 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.609 -4.070 -15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.355 -4.143 -15.620 1.00 0.00 H new ATOM 631 N THR A 334 2.247 -4.539 -13.187 1.00 0.00 N ATOM 632 CA THR A 334 2.253 -4.744 -11.755 1.00 0.00 C ATOM 633 C THR A 334 3.473 -4.081 -11.127 1.00 0.00 C ATOM 634 O THR A 334 4.598 -4.240 -11.612 1.00 0.00 O ATOM 635 CB THR A 334 2.239 -6.247 -11.399 1.00 0.00 C ATOM 636 OG1 THR A 334 3.341 -6.911 -12.024 1.00 0.00 O ATOM 637 CG2 THR A 334 0.945 -6.902 -11.848 1.00 0.00 C ATOM 0 H THR A 334 2.974 -5.048 -13.689 1.00 0.00 H new ATOM 0 HA THR A 334 1.347 -4.288 -11.355 1.00 0.00 H new ATOM 0 HB THR A 334 2.321 -6.334 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.324 -7.863 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.962 -7.960 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.102 -6.419 -11.354 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.840 -6.799 -12.928 1.00 0.00 H new ATOM 645 N TRP A 335 3.253 -3.312 -10.076 1.00 0.00 N ATOM 646 CA TRP A 335 4.347 -2.673 -9.364 1.00 0.00 C ATOM 647 C TRP A 335 4.640 -3.427 -8.069 1.00 0.00 C ATOM 648 O TRP A 335 3.725 -3.930 -7.412 1.00 0.00 O ATOM 649 CB TRP A 335 4.012 -1.206 -9.069 1.00 0.00 C ATOM 650 CG TRP A 335 5.110 -0.478 -8.362 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.325 -0.133 -8.877 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.099 -0.013 -7.011 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.075 0.512 -7.926 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.342 0.602 -6.771 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.160 -0.054 -5.975 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.669 1.169 -5.545 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.487 0.509 -4.759 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.732 1.113 -4.553 1.00 0.00 C ATOM 0 H TRP A 335 2.327 -3.114 -9.696 1.00 0.00 H new ATOM 0 HA TRP A 335 5.237 -2.699 -9.993 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.792 -0.695 -10.007 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.107 -1.162 -8.462 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.650 -0.338 -9.887 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.022 0.866 -8.057 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.196 -0.518 -6.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.629 1.637 -5.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.770 0.483 -3.952 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.957 1.544 -3.589 1.00 0.00 H new ATOM 669 N ARG A 336 5.916 -3.499 -7.710 1.00 0.00 N ATOM 670 CA ARG A 336 6.342 -4.226 -6.519 1.00 0.00 C ATOM 671 C ARG A 336 7.111 -3.289 -5.595 1.00 0.00 C ATOM 672 O ARG A 336 8.051 -2.624 -6.031 1.00 0.00 O ATOM 673 CB ARG A 336 7.238 -5.406 -6.912 1.00 0.00 C ATOM 674 CG ARG A 336 6.574 -6.429 -7.813 1.00 0.00 C ATOM 675 CD ARG A 336 7.562 -7.500 -8.249 1.00 0.00 C ATOM 676 NE ARG A 336 7.030 -8.352 -9.311 1.00 0.00 N ATOM 677 CZ ARG A 336 7.765 -9.222 -10.008 1.00 0.00 C ATOM 678 NH1 ARG A 336 9.037 -9.428 -9.689 1.00 0.00 N ATOM 679 NH2 ARG A 336 7.221 -9.902 -11.008 1.00 0.00 N ATOM 0 H ARG A 336 6.677 -3.061 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 336 5.460 -4.606 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.125 -5.020 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.577 -5.906 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.739 -6.893 -7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 336 6.162 -5.931 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 336 8.480 -7.024 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 336 7.827 -8.117 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 336 6.037 -8.277 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 336 9.456 -8.921 -8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.596 -10.093 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 336 6.239 -9.761 -11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 336 7.784 -10.566 -11.539 1.00 0.00 H new ATOM 693 N CYS A 337 6.707 -3.223 -4.340 1.00 0.00 N ATOM 694 CA CYS A 337 7.392 -2.373 -3.378 1.00 0.00 C ATOM 695 C CYS A 337 8.544 -3.130 -2.711 1.00 0.00 C ATOM 696 O CYS A 337 8.912 -4.225 -3.147 1.00 0.00 O ATOM 697 CB CYS A 337 6.404 -1.846 -2.331 1.00 0.00 C ATOM 698 SG CYS A 337 5.489 -3.136 -1.434 1.00 0.00 S ATOM 0 H CYS A 337 5.914 -3.743 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 337 7.814 -1.520 -3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 337 6.950 -1.238 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.688 -1.189 -2.825 1.00 0.00 H new ATOM 0 HG CYS A 337 4.844 -3.880 -2.283 1.00 0.00 H new ATOM 703 N SER A 338 9.089 -2.560 -1.635 1.00 0.00 N ATOM 704 CA SER A 338 10.293 -3.090 -0.996 1.00 0.00 C ATOM 705 C SER A 338 10.104 -4.531 -0.510 1.00 0.00 C ATOM 706 O SER A 338 10.987 -5.366 -0.698 1.00 0.00 O ATOM 707 CB SER A 338 10.659 -2.204 0.193 1.00 0.00 C ATOM 708 OG SER A 338 10.598 -0.832 -0.160 1.00 0.00 O ATOM 0 H SER A 338 8.712 -1.726 -1.186 1.00 0.00 H new ATOM 0 HA SER A 338 11.090 -3.092 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 338 9.978 -2.401 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 338 11.663 -2.450 0.540 1.00 0.00 H new ATOM 0 HG SER A 338 10.834 -0.283 0.617 1.00 0.00 H new ATOM 714 N SER A 339 8.949 -4.810 0.076 1.00 0.00 N ATOM 715 CA SER A 339 8.645 -6.142 0.583 1.00 0.00 C ATOM 716 C SER A 339 8.804 -7.211 -0.502 1.00 0.00 C ATOM 717 O SER A 339 9.423 -8.254 -0.275 1.00 0.00 O ATOM 718 CB SER A 339 7.233 -6.163 1.169 1.00 0.00 C ATOM 719 OG SER A 339 6.314 -5.531 0.297 1.00 0.00 O ATOM 0 H SER A 339 8.203 -4.128 0.213 1.00 0.00 H new ATOM 0 HA SER A 339 9.360 -6.379 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.924 -7.193 1.345 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.229 -5.659 2.136 1.00 0.00 H new ATOM 0 HG SER A 339 6.434 -4.559 0.344 1.00 0.00 H new ATOM 725 N CYS A 340 8.275 -6.931 -1.679 1.00 0.00 N ATOM 726 CA CYS A 340 8.344 -7.867 -2.795 1.00 0.00 C ATOM 727 C CYS A 340 9.755 -7.939 -3.381 1.00 0.00 C ATOM 728 O CYS A 340 10.272 -9.027 -3.642 1.00 0.00 O ATOM 729 CB CYS A 340 7.353 -7.455 -3.890 1.00 0.00 C ATOM 730 SG CYS A 340 5.614 -7.443 -3.344 1.00 0.00 S ATOM 0 H CYS A 340 7.790 -6.059 -1.891 1.00 0.00 H new ATOM 0 HA CYS A 340 8.082 -8.855 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.617 -6.461 -4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.454 -8.138 -4.734 1.00 0.00 H new ATOM 0 HG CYS A 340 5.037 -6.353 -3.756 1.00 0.00 H new ATOM 735 N LEU A 341 10.381 -6.780 -3.576 1.00 0.00 N ATOM 736 CA LEU A 341 11.710 -6.717 -4.180 1.00 0.00 C ATOM 737 C LEU A 341 12.760 -7.377 -3.293 1.00 0.00 C ATOM 738 O LEU A 341 13.678 -8.032 -3.780 1.00 0.00 O ATOM 739 CB LEU A 341 12.101 -5.266 -4.461 1.00 0.00 C ATOM 740 CG LEU A 341 11.209 -4.538 -5.471 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.660 -3.094 -5.640 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.222 -5.264 -6.807 1.00 0.00 C ATOM 0 H LEU A 341 9.989 -5.872 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 341 11.670 -7.266 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.086 -4.713 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.128 -5.247 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 341 10.187 -4.533 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.014 -2.593 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 341 11.600 -2.580 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.689 -3.074 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.584 -4.735 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.241 -5.298 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.851 -6.280 -6.673 1.00 0.00 H new