USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 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 159:sc= -0.655 USER MOD Set 1.2: A 302 CYS SG : rot -37:sc= 1.12 USER MOD Set 1.3: A 319 HIS : no HD1:sc= -1.83! C(o=-5.2!,f=-8.3!) USER MOD Set 1.4: A 322 CYS SG : rot -149:sc= -3.81! USER MOD Set 2.1: A 311 CYS SG : rot -169:sc= 1.05! USER MOD Set 2.2: A 314 CYS SG : rot 95:sc= 1.37 USER MOD Set 2.3: A 337 CYS SG : rot -20:sc= 0.85 USER MOD Set 2.4: A 339 SER OG : rot 160:sc= 0.016 USER MOD Set 2.5: A 340 CYS SG : rot 167:sc= 3.8! USER MOD Single : A 295 ASN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 310 CYS SG : rot 180:sc= 0.118 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 44:sc= 0.0609 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0441 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.797 -1.839 -1.570 1.00 0.00 N ATOM 86 CA ASN A 295 -5.540 -1.145 -1.338 1.00 0.00 C ATOM 87 C ASN A 295 -5.706 -0.162 -0.193 1.00 0.00 C ATOM 88 O ASN A 295 -6.790 0.383 0.021 1.00 0.00 O ATOM 89 CB ASN A 295 -5.086 -0.387 -2.600 1.00 0.00 C ATOM 90 CG ASN A 295 -5.878 0.891 -2.844 1.00 0.00 C ATOM 91 OD1 ASN A 295 -6.917 0.876 -3.503 1.00 0.00 O ATOM 92 ND2 ASN A 295 -5.385 2.008 -2.317 1.00 0.00 N ATOM 0 HA ASN A 295 -4.781 -1.886 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -4.028 -0.140 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -5.187 -1.041 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -5.872 2.894 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -4.520 1.979 -1.777 1.00 0.00 H new ATOM 99 N GLU A 296 -4.642 0.042 0.560 1.00 0.00 N ATOM 100 CA GLU A 296 -4.632 1.067 1.584 1.00 0.00 C ATOM 101 C GLU A 296 -4.361 2.405 0.908 1.00 0.00 C ATOM 102 O GLU A 296 -3.422 2.529 0.126 1.00 0.00 O ATOM 103 CB GLU A 296 -3.569 0.745 2.632 1.00 0.00 C ATOM 104 CG GLU A 296 -3.534 1.715 3.803 1.00 0.00 C ATOM 105 CD GLU A 296 -2.715 1.183 4.960 1.00 0.00 C ATOM 106 OE1 GLU A 296 -1.474 1.295 4.924 1.00 0.00 O ATOM 107 OE2 GLU A 296 -3.314 0.624 5.902 1.00 0.00 O ATOM 0 H GLU A 296 -3.774 -0.488 0.481 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.592 1.111 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -3.744 -0.261 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.591 0.738 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.118 2.667 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -4.552 1.912 4.140 1.00 0.00 H new ATOM 114 N ASP A 297 -5.185 3.394 1.204 1.00 0.00 N ATOM 115 CA ASP A 297 -5.107 4.672 0.512 1.00 0.00 C ATOM 116 C ASP A 297 -4.275 5.665 1.301 1.00 0.00 C ATOM 117 O ASP A 297 -4.522 6.873 1.274 1.00 0.00 O ATOM 118 CB ASP A 297 -6.509 5.236 0.252 1.00 0.00 C ATOM 119 CG ASP A 297 -7.376 4.292 -0.561 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.202 4.224 -1.786 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.227 3.599 0.043 1.00 0.00 O ATOM 0 H ASP A 297 -5.914 3.340 1.916 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.619 4.504 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.997 5.441 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.422 6.187 -0.273 1.00 0.00 H new ATOM 126 N GLU A 298 -3.282 5.150 2.012 1.00 0.00 N ATOM 127 CA GLU A 298 -2.420 5.960 2.830 1.00 0.00 C ATOM 128 C GLU A 298 -0.962 5.693 2.462 1.00 0.00 C ATOM 129 O GLU A 298 -0.561 4.538 2.307 1.00 0.00 O ATOM 130 CB GLU A 298 -2.661 5.623 4.300 1.00 0.00 C ATOM 131 CG GLU A 298 -1.739 6.357 5.245 1.00 0.00 C ATOM 132 CD GLU A 298 -1.964 7.854 5.231 1.00 0.00 C ATOM 133 OE1 GLU A 298 -1.553 8.507 4.251 1.00 0.00 O ATOM 134 OE2 GLU A 298 -2.564 8.383 6.191 1.00 0.00 O ATOM 0 H GLU A 298 -3.059 4.155 2.031 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.637 7.015 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -3.694 5.861 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -2.536 4.550 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -1.887 5.980 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.704 6.146 4.975 1.00 0.00 H new ATOM 141 N CYS A 299 -0.181 6.752 2.295 1.00 0.00 N ATOM 142 CA CYS A 299 1.234 6.600 1.997 1.00 0.00 C ATOM 143 C CYS A 299 2.008 6.283 3.258 1.00 0.00 C ATOM 144 O CYS A 299 2.221 7.153 4.105 1.00 0.00 O ATOM 145 CB CYS A 299 1.801 7.861 1.346 1.00 0.00 C ATOM 146 SG CYS A 299 3.578 7.755 0.952 1.00 0.00 S ATOM 0 H CYS A 299 -0.502 7.718 2.360 1.00 0.00 H new ATOM 0 HA CYS A 299 1.338 5.773 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.247 8.065 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.637 8.707 2.013 1.00 0.00 H new ATOM 0 HG CYS A 299 3.873 8.633 0.040 1.00 0.00 H new ATOM 151 N ALA A 300 2.401 5.023 3.392 1.00 0.00 N ATOM 152 CA ALA A 300 3.186 4.557 4.527 1.00 0.00 C ATOM 153 C ALA A 300 4.429 5.416 4.792 1.00 0.00 C ATOM 154 O ALA A 300 4.959 5.429 5.896 1.00 0.00 O ATOM 155 CB ALA A 300 3.593 3.107 4.317 1.00 0.00 C ATOM 0 H ALA A 300 2.183 4.293 2.714 1.00 0.00 H new ATOM 0 HA ALA A 300 2.549 4.644 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.180 2.767 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.700 2.489 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.191 3.025 3.409 1.00 0.00 H new ATOM 161 N VAL A 301 4.885 6.141 3.774 1.00 0.00 N ATOM 162 CA VAL A 301 6.080 6.962 3.909 1.00 0.00 C ATOM 163 C VAL A 301 5.786 8.285 4.617 1.00 0.00 C ATOM 164 O VAL A 301 6.281 8.524 5.715 1.00 0.00 O ATOM 165 CB VAL A 301 6.720 7.262 2.533 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.978 8.108 2.690 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.035 5.970 1.794 1.00 0.00 C ATOM 0 H VAL A 301 4.447 6.176 2.853 1.00 0.00 H new ATOM 0 HA VAL A 301 6.779 6.384 4.514 1.00 0.00 H new ATOM 0 HB VAL A 301 6.000 7.830 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.409 8.305 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.724 9.053 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.703 7.572 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.484 6.203 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.731 5.374 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.115 5.406 1.639 1.00 0.00 H new ATOM 177 N CYS A 302 4.972 9.133 4.007 1.00 0.00 N ATOM 178 CA CYS A 302 4.794 10.496 4.500 1.00 0.00 C ATOM 179 C CYS A 302 3.375 10.772 4.999 1.00 0.00 C ATOM 180 O CYS A 302 3.024 11.920 5.269 1.00 0.00 O ATOM 181 CB CYS A 302 5.165 11.498 3.414 1.00 0.00 C ATOM 182 SG CYS A 302 4.293 11.221 1.833 1.00 0.00 S ATOM 0 H CYS A 302 4.426 8.907 3.175 1.00 0.00 H new ATOM 0 HA CYS A 302 5.459 10.609 5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.944 12.504 3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.240 11.450 3.239 1.00 0.00 H new ATOM 0 HG CYS A 302 4.167 9.944 1.625 1.00 0.00 H new ATOM 187 N ARG A 303 2.570 9.714 5.123 1.00 0.00 N ATOM 188 CA ARG A 303 1.190 9.827 5.608 1.00 0.00 C ATOM 189 C ARG A 303 0.378 10.829 4.781 1.00 0.00 C ATOM 190 O ARG A 303 -0.389 11.620 5.335 1.00 0.00 O ATOM 191 CB ARG A 303 1.160 10.220 7.087 1.00 0.00 C ATOM 192 CG ARG A 303 1.815 9.202 8.009 1.00 0.00 C ATOM 193 CD ARG A 303 1.689 9.610 9.464 1.00 0.00 C ATOM 194 NE ARG A 303 2.386 8.685 10.364 1.00 0.00 N ATOM 195 CZ ARG A 303 2.491 8.852 11.684 1.00 0.00 C ATOM 196 NH1 ARG A 303 1.944 9.910 12.270 1.00 0.00 N ATOM 197 NH2 ARG A 303 3.159 7.965 12.409 1.00 0.00 N ATOM 0 H ARG A 303 2.852 8.761 4.892 1.00 0.00 H new ATOM 0 HA ARG A 303 0.730 8.845 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.661 11.180 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.124 10.360 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.353 8.226 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.868 9.098 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 303 2.094 10.614 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.635 9.654 9.737 1.00 0.00 H new ATOM 0 HE ARG A 303 2.820 7.858 9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 303 1.441 10.599 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 303 2.027 10.034 13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 303 3.590 7.158 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 303 3.241 8.089 13.418 1.00 0.00 H new ATOM 211 N ASP A 304 0.562 10.802 3.473 1.00 0.00 N ATOM 212 CA ASP A 304 -0.161 11.696 2.571 1.00 0.00 C ATOM 213 C ASP A 304 -0.897 10.869 1.524 1.00 0.00 C ATOM 214 O ASP A 304 -0.561 9.703 1.304 1.00 0.00 O ATOM 215 CB ASP A 304 0.823 12.655 1.888 1.00 0.00 C ATOM 216 CG ASP A 304 0.171 13.938 1.396 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.572 13.900 0.401 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.416 15.000 2.011 1.00 0.00 O ATOM 0 H ASP A 304 1.209 10.168 3.004 1.00 0.00 H new ATOM 0 HA ASP A 304 -0.883 12.281 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.620 12.906 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.289 12.146 1.044 1.00 0.00 H new ATOM 223 N GLY A 305 -1.900 11.457 0.886 1.00 0.00 N ATOM 224 CA GLY A 305 -2.666 10.734 -0.108 1.00 0.00 C ATOM 225 C GLY A 305 -2.632 11.408 -1.454 1.00 0.00 C ATOM 226 O GLY A 305 -1.588 11.892 -1.889 1.00 0.00 O ATOM 0 H GLY A 305 -2.196 12.421 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.273 9.721 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.700 10.646 0.226 1.00 0.00 H new ATOM 230 N GLY A 306 -3.776 11.457 -2.124 1.00 0.00 N ATOM 231 CA GLY A 306 -3.841 12.059 -3.437 1.00 0.00 C ATOM 232 C GLY A 306 -3.493 11.073 -4.530 1.00 0.00 C ATOM 233 O GLY A 306 -4.157 10.046 -4.679 1.00 0.00 O ATOM 0 H GLY A 306 -4.662 11.089 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.844 12.450 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -3.157 12.906 -3.482 1.00 0.00 H new ATOM 237 N GLU A 307 -2.440 11.371 -5.277 1.00 0.00 N ATOM 238 CA GLU A 307 -2.020 10.515 -6.381 1.00 0.00 C ATOM 239 C GLU A 307 -1.079 9.422 -5.889 1.00 0.00 C ATOM 240 O GLU A 307 0.138 9.487 -6.080 1.00 0.00 O ATOM 241 CB GLU A 307 -1.351 11.339 -7.474 1.00 0.00 C ATOM 242 CG GLU A 307 -2.280 12.349 -8.120 1.00 0.00 C ATOM 243 CD GLU A 307 -1.655 13.034 -9.317 1.00 0.00 C ATOM 244 OE1 GLU A 307 -1.523 12.385 -10.371 1.00 0.00 O ATOM 245 OE2 GLU A 307 -1.291 14.222 -9.203 1.00 0.00 O ATOM 0 H GLU A 307 -1.860 12.199 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.908 10.041 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 307 -0.494 11.863 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -0.966 10.667 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -3.196 11.847 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -2.563 13.100 -7.383 1.00 0.00 H new ATOM 252 N LEU A 308 -1.665 8.433 -5.242 1.00 0.00 N ATOM 253 CA LEU A 308 -0.913 7.309 -4.707 1.00 0.00 C ATOM 254 C LEU A 308 -0.840 6.157 -5.692 1.00 0.00 C ATOM 255 O LEU A 308 -1.721 5.985 -6.539 1.00 0.00 O ATOM 256 CB LEU A 308 -1.547 6.820 -3.407 1.00 0.00 C ATOM 257 CG LEU A 308 -1.376 7.760 -2.218 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.153 7.256 -1.022 1.00 0.00 C ATOM 259 CD2 LEU A 308 0.096 7.904 -1.886 1.00 0.00 C ATOM 0 H LEU A 308 -2.669 8.384 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 308 0.101 7.661 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.612 6.661 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.117 5.852 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.772 8.740 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.017 7.941 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.212 7.197 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -1.791 6.266 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 308 0.213 8.576 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.510 6.927 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.625 8.312 -2.747 1.00 0.00 H new ATOM 271 N ILE A 309 0.207 5.366 -5.560 1.00 0.00 N ATOM 272 CA ILE A 309 0.356 4.153 -6.342 1.00 0.00 C ATOM 273 C ILE A 309 0.454 2.968 -5.389 1.00 0.00 C ATOM 274 O ILE A 309 1.365 2.900 -4.555 1.00 0.00 O ATOM 275 CB ILE A 309 1.583 4.204 -7.290 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.764 2.862 -8.007 1.00 0.00 C ATOM 277 CG2 ILE A 309 2.851 4.586 -6.534 1.00 0.00 C ATOM 278 CD1 ILE A 309 2.929 2.840 -8.972 1.00 0.00 C ATOM 0 H ILE A 309 0.974 5.544 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.518 4.047 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 309 1.397 4.975 -8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 309 1.906 2.079 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.849 2.624 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.693 4.613 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.722 5.569 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.046 3.849 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 309 2.994 1.858 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.780 3.600 -9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.853 3.046 -8.432 1.00 0.00 H new ATOM 290 N CYS A 310 -0.513 2.069 -5.457 1.00 0.00 N ATOM 291 CA CYS A 310 -0.561 0.930 -4.559 1.00 0.00 C ATOM 292 C CYS A 310 0.166 -0.263 -5.162 1.00 0.00 C ATOM 293 O CYS A 310 0.053 -0.544 -6.358 1.00 0.00 O ATOM 294 CB CYS A 310 -2.018 0.571 -4.261 1.00 0.00 C ATOM 295 SG CYS A 310 -3.037 0.327 -5.742 1.00 0.00 S ATOM 0 H CYS A 310 -1.279 2.107 -6.129 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.060 1.195 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.042 -0.340 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.460 1.362 -3.655 1.00 0.00 H new ATOM 0 HG CYS A 310 -4.251 0.025 -5.389 1.00 0.00 H new ATOM 301 N CYS A 311 0.938 -0.942 -4.332 1.00 0.00 N ATOM 302 CA CYS A 311 1.640 -2.142 -4.750 1.00 0.00 C ATOM 303 C CYS A 311 0.662 -3.293 -4.994 1.00 0.00 C ATOM 304 O CYS A 311 -0.373 -3.402 -4.338 1.00 0.00 O ATOM 305 CB CYS A 311 2.663 -2.530 -3.688 1.00 0.00 C ATOM 306 SG CYS A 311 3.604 -4.039 -4.075 1.00 0.00 S ATOM 0 H CYS A 311 1.095 -0.680 -3.359 1.00 0.00 H new ATOM 0 HA CYS A 311 2.154 -1.937 -5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.362 -1.704 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.148 -2.670 -2.738 1.00 0.00 H new ATOM 0 HG CYS A 311 4.273 -4.414 -3.026 1.00 0.00 H new ATOM 311 N ASP A 312 1.014 -4.144 -5.952 1.00 0.00 N ATOM 312 CA ASP A 312 0.191 -5.295 -6.318 1.00 0.00 C ATOM 313 C ASP A 312 0.353 -6.420 -5.303 1.00 0.00 C ATOM 314 O ASP A 312 -0.506 -7.290 -5.170 1.00 0.00 O ATOM 315 CB ASP A 312 0.567 -5.783 -7.727 1.00 0.00 C ATOM 316 CG ASP A 312 -0.218 -7.005 -8.166 1.00 0.00 C ATOM 317 OD1 ASP A 312 -1.446 -6.889 -8.365 1.00 0.00 O ATOM 318 OD2 ASP A 312 0.394 -8.087 -8.301 1.00 0.00 O ATOM 0 H ASP A 312 1.873 -4.058 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.855 -4.988 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 312 0.400 -4.976 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 312 1.632 -6.015 -7.752 1.00 0.00 H new ATOM 323 N GLY A 313 1.451 -6.374 -4.566 1.00 0.00 N ATOM 324 CA GLY A 313 1.720 -7.396 -3.567 1.00 0.00 C ATOM 325 C GLY A 313 1.358 -6.935 -2.174 1.00 0.00 C ATOM 326 O GLY A 313 0.827 -7.704 -1.370 1.00 0.00 O ATOM 0 H GLY A 313 2.164 -5.648 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.156 -8.297 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.776 -7.664 -3.597 1.00 0.00 H new ATOM 330 N CYS A 314 1.630 -5.674 -1.888 1.00 0.00 N ATOM 331 CA CYS A 314 1.344 -5.099 -0.585 1.00 0.00 C ATOM 332 C CYS A 314 0.317 -3.983 -0.746 1.00 0.00 C ATOM 333 O CYS A 314 0.467 -3.133 -1.618 1.00 0.00 O ATOM 334 CB CYS A 314 2.625 -4.562 0.060 1.00 0.00 C ATOM 335 SG CYS A 314 3.900 -5.830 0.349 1.00 0.00 S ATOM 0 H CYS A 314 2.053 -5.022 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 314 0.939 -5.871 0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.041 -3.783 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.371 -4.094 1.011 1.00 0.00 H new ATOM 0 HG CYS A 314 4.733 -5.843 -0.649 1.00 0.00 H new ATOM 340 N PRO A 315 -0.736 -3.969 0.085 1.00 0.00 N ATOM 341 CA PRO A 315 -1.817 -2.977 -0.016 1.00 0.00 C ATOM 342 C PRO A 315 -1.344 -1.548 0.263 1.00 0.00 C ATOM 343 O PRO A 315 -2.062 -0.590 0.000 1.00 0.00 O ATOM 344 CB PRO A 315 -2.825 -3.429 1.046 1.00 0.00 C ATOM 345 CG PRO A 315 -2.034 -4.255 2.005 1.00 0.00 C ATOM 346 CD PRO A 315 -0.956 -4.916 1.193 1.00 0.00 C ATOM 0 HA PRO A 315 -2.230 -2.938 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.282 -2.574 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.634 -4.008 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.605 -3.635 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.665 -4.998 2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.049 -5.069 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.269 -5.895 0.829 1.00 0.00 H new ATOM 354 N ARG A 316 -0.139 -1.429 0.801 1.00 0.00 N ATOM 355 CA ARG A 316 0.466 -0.130 1.089 1.00 0.00 C ATOM 356 C ARG A 316 0.603 0.717 -0.172 1.00 0.00 C ATOM 357 O ARG A 316 0.974 0.218 -1.241 1.00 0.00 O ATOM 358 CB ARG A 316 1.835 -0.311 1.742 1.00 0.00 C ATOM 359 CG ARG A 316 1.797 -0.272 3.267 1.00 0.00 C ATOM 360 CD ARG A 316 3.099 -0.771 3.865 1.00 0.00 C ATOM 361 NE ARG A 316 3.249 -2.217 3.712 1.00 0.00 N ATOM 362 CZ ARG A 316 4.415 -2.861 3.791 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.542 -2.182 3.952 1.00 0.00 N ATOM 364 NH2 ARG A 316 4.451 -4.182 3.682 1.00 0.00 N ATOM 0 H ARG A 316 0.448 -2.225 1.051 1.00 0.00 H new ATOM 0 HA ARG A 316 -0.196 0.393 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.257 -1.264 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.505 0.471 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.608 0.748 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 316 0.971 -0.884 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.937 -0.266 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.136 -0.512 4.923 1.00 0.00 H new ATOM 0 HE ARG A 316 2.410 -2.768 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 316 5.520 -1.164 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 316 6.432 -2.677 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 316 3.588 -4.706 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 316 5.342 -4.675 3.742 1.00 0.00 H new ATOM 378 N ALA A 317 0.292 2.000 -0.036 1.00 0.00 N ATOM 379 CA ALA A 317 0.418 2.947 -1.133 1.00 0.00 C ATOM 380 C ALA A 317 1.595 3.880 -0.889 1.00 0.00 C ATOM 381 O ALA A 317 1.993 4.116 0.251 1.00 0.00 O ATOM 382 CB ALA A 317 -0.868 3.742 -1.306 1.00 0.00 C ATOM 0 H ALA A 317 -0.052 2.410 0.832 1.00 0.00 H new ATOM 0 HA ALA A 317 0.600 2.391 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.753 4.445 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.691 3.060 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.082 4.291 -0.389 1.00 0.00 H new ATOM 388 N PHE A 318 2.143 4.408 -1.978 1.00 0.00 N ATOM 389 CA PHE A 318 3.323 5.260 -1.906 1.00 0.00 C ATOM 390 C PHE A 318 3.249 6.365 -2.945 1.00 0.00 C ATOM 391 O PHE A 318 2.432 6.302 -3.866 1.00 0.00 O ATOM 392 CB PHE A 318 4.594 4.430 -2.134 1.00 0.00 C ATOM 393 CG PHE A 318 4.774 3.287 -1.167 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.278 3.508 0.104 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.447 1.992 -1.535 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.448 2.460 0.987 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.615 0.941 -0.657 1.00 0.00 C ATOM 398 CZ PHE A 318 5.118 1.176 0.603 1.00 0.00 C ATOM 0 H PHE A 318 1.788 4.260 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 318 3.357 5.708 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.576 4.032 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.460 5.088 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.541 4.511 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.055 1.802 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.839 2.645 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.353 -0.063 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.254 0.355 1.291 1.00 0.00 H new ATOM 408 N HIS A 319 4.090 7.381 -2.788 1.00 0.00 N ATOM 409 CA HIS A 319 4.245 8.418 -3.800 1.00 0.00 C ATOM 410 C HIS A 319 5.524 8.173 -4.583 1.00 0.00 C ATOM 411 O HIS A 319 6.471 7.582 -4.049 1.00 0.00 O ATOM 412 CB HIS A 319 4.301 9.818 -3.178 1.00 0.00 C ATOM 413 CG HIS A 319 3.010 10.291 -2.592 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.839 10.387 -1.239 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.881 10.711 -3.206 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.621 10.862 -1.055 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.006 11.073 -2.216 1.00 0.00 N ATOM 0 H HIS A 319 4.678 7.508 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 319 3.377 8.373 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.063 9.825 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.620 10.528 -3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.703 10.753 -4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.181 11.054 -0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.061 11.436 -2.345 1.00 0.00 H new ATOM 425 N LEU A 320 5.561 8.656 -5.814 1.00 0.00 N ATOM 426 CA LEU A 320 6.673 8.380 -6.735 1.00 0.00 C ATOM 427 C LEU A 320 8.034 8.678 -6.108 1.00 0.00 C ATOM 428 O LEU A 320 8.881 7.784 -5.998 1.00 0.00 O ATOM 429 CB LEU A 320 6.517 9.190 -8.015 1.00 0.00 C ATOM 430 CG LEU A 320 5.320 8.799 -8.878 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.245 9.680 -10.121 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.404 7.330 -9.274 1.00 0.00 C ATOM 0 H LEU A 320 4.830 9.248 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 320 6.636 7.315 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.429 10.244 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.425 9.084 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 320 4.413 8.949 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.386 9.386 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 320 5.139 10.723 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 320 6.157 9.561 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.543 7.069 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.319 7.158 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.410 6.711 -8.377 1.00 0.00 H new ATOM 444 N ALA A 321 8.235 9.913 -5.661 1.00 0.00 N ATOM 445 CA ALA A 321 9.520 10.327 -5.100 1.00 0.00 C ATOM 446 C ALA A 321 9.638 9.957 -3.624 1.00 0.00 C ATOM 447 O ALA A 321 10.598 10.338 -2.961 1.00 0.00 O ATOM 448 CB ALA A 321 9.734 11.821 -5.283 1.00 0.00 C ATOM 0 H ALA A 321 7.526 10.646 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 321 10.297 9.790 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.696 12.105 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.721 12.063 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.938 12.367 -4.777 1.00 0.00 H new ATOM 454 N CYS A 322 8.662 9.224 -3.115 1.00 0.00 N ATOM 455 CA CYS A 322 8.705 8.764 -1.746 1.00 0.00 C ATOM 456 C CYS A 322 9.321 7.375 -1.683 1.00 0.00 C ATOM 457 O CYS A 322 9.772 6.933 -0.620 1.00 0.00 O ATOM 458 CB CYS A 322 7.312 8.778 -1.112 1.00 0.00 C ATOM 459 SG CYS A 322 6.620 10.452 -0.911 1.00 0.00 S ATOM 0 H CYS A 322 7.832 8.937 -3.633 1.00 0.00 H new ATOM 0 HA CYS A 322 9.330 9.448 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.635 8.186 -1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.361 8.294 -0.136 1.00 0.00 H new ATOM 0 HG CYS A 322 5.845 10.479 0.133 1.00 0.00 H new ATOM 464 N LEU A 323 9.327 6.679 -2.814 1.00 0.00 N ATOM 465 CA LEU A 323 10.081 5.436 -2.931 1.00 0.00 C ATOM 466 C LEU A 323 11.583 5.705 -2.864 1.00 0.00 C ATOM 467 O LEU A 323 12.050 6.804 -3.177 1.00 0.00 O ATOM 468 CB LEU A 323 9.763 4.704 -4.238 1.00 0.00 C ATOM 469 CG LEU A 323 8.524 3.802 -4.232 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.547 2.853 -3.045 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.253 4.627 -4.240 1.00 0.00 C ATOM 0 H LEU A 323 8.822 6.951 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 323 9.784 4.804 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.639 5.448 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.627 4.096 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 323 8.542 3.202 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 323 7.657 2.224 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 323 9.436 2.225 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 323 8.565 3.428 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.388 3.963 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.227 5.263 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.228 5.249 -5.135 1.00 0.00 H new ATOM 483 N SER A 324 12.326 4.709 -2.413 1.00 0.00 N ATOM 484 CA SER A 324 13.778 4.761 -2.418 1.00 0.00 C ATOM 485 C SER A 324 14.336 3.425 -2.924 1.00 0.00 C ATOM 486 O SER A 324 14.332 2.438 -2.182 1.00 0.00 O ATOM 487 CB SER A 324 14.287 5.074 -1.007 1.00 0.00 C ATOM 488 OG SER A 324 15.700 5.181 -0.966 1.00 0.00 O ATOM 0 H SER A 324 11.941 3.844 -2.034 1.00 0.00 H new ATOM 0 HA SER A 324 14.119 5.551 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.842 6.006 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.962 4.291 -0.322 1.00 0.00 H new ATOM 0 HG SER A 324 15.986 5.383 -0.051 1.00 0.00 H new ATOM 494 N PRO A 325 14.820 3.351 -4.183 1.00 0.00 N ATOM 495 CA PRO A 325 14.909 4.493 -5.108 1.00 0.00 C ATOM 496 C PRO A 325 13.543 4.995 -5.573 1.00 0.00 C ATOM 497 O PRO A 325 12.591 4.221 -5.705 1.00 0.00 O ATOM 498 CB PRO A 325 15.685 3.919 -6.293 1.00 0.00 C ATOM 499 CG PRO A 325 15.416 2.457 -6.246 1.00 0.00 C ATOM 500 CD PRO A 325 15.325 2.110 -4.796 1.00 0.00 C ATOM 0 HA PRO A 325 15.378 5.356 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.349 4.354 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.751 4.129 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.490 2.212 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.213 1.896 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.649 1.272 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 325 16.295 1.826 -4.389 1.00 0.00 H new ATOM 508 N PRO A 326 13.439 6.307 -5.832 1.00 0.00 N ATOM 509 CA PRO A 326 12.176 6.941 -6.205 1.00 0.00 C ATOM 510 C PRO A 326 11.802 6.714 -7.666 1.00 0.00 C ATOM 511 O PRO A 326 12.663 6.681 -8.547 1.00 0.00 O ATOM 512 CB PRO A 326 12.448 8.424 -5.951 1.00 0.00 C ATOM 513 CG PRO A 326 13.911 8.585 -6.175 1.00 0.00 C ATOM 514 CD PRO A 326 14.552 7.278 -5.786 1.00 0.00 C ATOM 0 HA PRO A 326 11.338 6.533 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 326 11.872 9.054 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.169 8.709 -4.937 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.119 8.824 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.307 9.405 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.350 7.004 -6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.995 7.331 -4.791 1.00 0.00 H new ATOM 522 N LEU A 327 10.510 6.579 -7.911 1.00 0.00 N ATOM 523 CA LEU A 327 9.997 6.387 -9.257 1.00 0.00 C ATOM 524 C LEU A 327 9.864 7.730 -9.964 1.00 0.00 C ATOM 525 O LEU A 327 9.560 8.748 -9.344 1.00 0.00 O ATOM 526 CB LEU A 327 8.631 5.699 -9.212 1.00 0.00 C ATOM 527 CG LEU A 327 8.596 4.349 -8.489 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.173 3.815 -8.443 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.516 3.346 -9.177 1.00 0.00 C ATOM 0 H LEU A 327 9.791 6.599 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 327 10.697 5.757 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.922 6.370 -8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.283 5.553 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 327 8.950 4.495 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.161 2.855 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.536 4.521 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 327 6.800 3.685 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.477 2.394 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.192 3.202 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.538 3.724 -9.168 1.00 0.00 H new ATOM 541 N ARG A 328 10.114 7.729 -11.270 1.00 0.00 N ATOM 542 CA ARG A 328 10.002 8.937 -12.073 1.00 0.00 C ATOM 543 C ARG A 328 8.565 9.137 -12.545 1.00 0.00 C ATOM 544 O ARG A 328 8.044 10.252 -12.538 1.00 0.00 O ATOM 545 CB ARG A 328 10.943 8.861 -13.282 1.00 0.00 C ATOM 546 CG ARG A 328 12.417 8.886 -12.913 1.00 0.00 C ATOM 547 CD ARG A 328 13.296 8.609 -14.120 1.00 0.00 C ATOM 548 NE ARG A 328 13.136 7.237 -14.604 1.00 0.00 N ATOM 549 CZ ARG A 328 12.753 6.913 -15.839 1.00 0.00 C ATOM 550 NH1 ARG A 328 12.509 7.865 -16.741 1.00 0.00 N ATOM 551 NH2 ARG A 328 12.620 5.634 -16.182 1.00 0.00 N ATOM 0 H ARG A 328 10.396 6.901 -11.794 1.00 0.00 H new ATOM 0 HA ARG A 328 10.287 9.787 -11.454 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.732 7.947 -13.838 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.731 9.696 -13.949 1.00 0.00 H new ATOM 0 HG2 ARG A 328 12.671 9.858 -12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 328 12.613 8.142 -12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 328 13.048 9.308 -14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 328 14.340 8.783 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 328 13.331 6.477 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.615 8.847 -16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 328 12.216 7.611 -17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.811 4.900 -15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 328 12.327 5.387 -17.127 1.00 0.00 H new ATOM 565 N GLU A 329 7.939 8.051 -12.973 1.00 0.00 N ATOM 566 CA GLU A 329 6.556 8.082 -13.415 1.00 0.00 C ATOM 567 C GLU A 329 5.845 6.807 -12.958 1.00 0.00 C ATOM 568 O GLU A 329 6.495 5.877 -12.468 1.00 0.00 O ATOM 569 CB GLU A 329 6.504 8.228 -14.945 1.00 0.00 C ATOM 570 CG GLU A 329 5.105 8.454 -15.507 1.00 0.00 C ATOM 571 CD GLU A 329 4.369 9.578 -14.806 1.00 0.00 C ATOM 572 OE1 GLU A 329 4.555 10.751 -15.194 1.00 0.00 O ATOM 573 OE2 GLU A 329 3.596 9.293 -13.865 1.00 0.00 O ATOM 0 H GLU A 329 8.373 7.130 -13.023 1.00 0.00 H new ATOM 0 HA GLU A 329 6.045 8.938 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.141 9.062 -15.240 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.924 7.330 -15.398 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.177 8.680 -16.571 1.00 0.00 H new ATOM 0 HG3 GLU A 329 4.528 7.534 -15.415 1.00 0.00 H new ATOM 580 N ILE A 330 4.526 6.767 -13.107 1.00 0.00 N ATOM 581 CA ILE A 330 3.746 5.580 -12.771 1.00 0.00 C ATOM 582 C ILE A 330 3.972 4.491 -13.819 1.00 0.00 C ATOM 583 O ILE A 330 3.608 4.655 -14.978 1.00 0.00 O ATOM 584 CB ILE A 330 2.234 5.908 -12.721 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.954 7.008 -11.687 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.418 4.658 -12.399 1.00 0.00 C ATOM 587 CD1 ILE A 330 2.151 6.574 -10.255 1.00 0.00 C ATOM 0 H ILE A 330 3.971 7.547 -13.460 1.00 0.00 H new ATOM 0 HA ILE A 330 4.073 5.233 -11.791 1.00 0.00 H new ATOM 0 HB ILE A 330 1.934 6.270 -13.704 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.606 7.857 -11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 330 0.929 7.356 -11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.359 4.913 -12.369 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.588 3.904 -13.168 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.724 4.264 -11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 330 1.933 7.409 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.480 5.745 -10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.183 6.254 -10.110 1.00 0.00 H new ATOM 599 N PRO A 331 4.592 3.369 -13.420 1.00 0.00 N ATOM 600 CA PRO A 331 4.850 2.251 -14.326 1.00 0.00 C ATOM 601 C PRO A 331 3.566 1.508 -14.675 1.00 0.00 C ATOM 602 O PRO A 331 2.783 1.147 -13.794 1.00 0.00 O ATOM 603 CB PRO A 331 5.796 1.335 -13.526 1.00 0.00 C ATOM 604 CG PRO A 331 6.188 2.109 -12.310 1.00 0.00 C ATOM 605 CD PRO A 331 5.089 3.100 -12.069 1.00 0.00 C ATOM 0 HA PRO A 331 5.272 2.582 -15.275 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.299 0.404 -13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.672 1.067 -14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.311 1.448 -11.452 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.141 2.615 -12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.310 2.691 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.459 4.005 -11.587 1.00 0.00 H new ATOM 613 N SER A 332 3.348 1.296 -15.961 1.00 0.00 N ATOM 614 CA SER A 332 2.169 0.590 -16.440 1.00 0.00 C ATOM 615 C SER A 332 2.330 -0.911 -16.211 1.00 0.00 C ATOM 616 O SER A 332 3.256 -1.532 -16.741 1.00 0.00 O ATOM 617 CB SER A 332 1.943 0.891 -17.923 1.00 0.00 C ATOM 618 OG SER A 332 0.762 0.266 -18.406 1.00 0.00 O ATOM 0 H SER A 332 3.979 1.606 -16.700 1.00 0.00 H new ATOM 0 HA SER A 332 1.297 0.932 -15.883 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.872 1.969 -18.070 1.00 0.00 H new ATOM 0 HB3 SER A 332 2.801 0.546 -18.500 1.00 0.00 H new ATOM 0 HG SER A 332 0.644 0.478 -19.355 1.00 0.00 H new ATOM 624 N GLY A 333 1.437 -1.477 -15.418 1.00 0.00 N ATOM 625 CA GLY A 333 1.468 -2.900 -15.156 1.00 0.00 C ATOM 626 C GLY A 333 1.239 -3.225 -13.693 1.00 0.00 C ATOM 627 O GLY A 333 0.467 -2.547 -13.015 1.00 0.00 O ATOM 0 H GLY A 333 0.685 -0.973 -14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.706 -3.394 -15.758 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.431 -3.303 -15.468 1.00 0.00 H new ATOM 631 N THR A 334 1.909 -4.261 -13.217 1.00 0.00 N ATOM 632 CA THR A 334 1.813 -4.661 -11.827 1.00 0.00 C ATOM 633 C THR A 334 3.082 -4.266 -11.083 1.00 0.00 C ATOM 634 O THR A 334 4.171 -4.778 -11.360 1.00 0.00 O ATOM 635 CB THR A 334 1.564 -6.173 -11.709 1.00 0.00 C ATOM 636 OG1 THR A 334 2.425 -6.883 -12.609 1.00 0.00 O ATOM 637 CG2 THR A 334 0.116 -6.508 -12.015 1.00 0.00 C ATOM 0 H THR A 334 2.530 -4.843 -13.780 1.00 0.00 H new ATOM 0 HA THR A 334 0.966 -4.146 -11.375 1.00 0.00 H new ATOM 0 HB THR A 334 1.781 -6.476 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.329 -6.507 -12.562 1.00 0.00 H new ATOM 0 HG21 THR A 334 -0.035 -7.584 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.534 -5.990 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 334 -0.124 -6.192 -13.030 1.00 0.00 H new ATOM 645 N TRP A 335 2.938 -3.346 -10.142 1.00 0.00 N ATOM 646 CA TRP A 335 4.081 -2.772 -9.463 1.00 0.00 C ATOM 647 C TRP A 335 4.319 -3.463 -8.124 1.00 0.00 C ATOM 648 O TRP A 335 3.376 -3.816 -7.413 1.00 0.00 O ATOM 649 CB TRP A 335 3.869 -1.269 -9.260 1.00 0.00 C ATOM 650 CG TRP A 335 5.011 -0.591 -8.571 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.256 -0.358 -9.076 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.012 -0.057 -7.238 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.035 0.277 -8.137 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.291 0.477 -7.008 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.054 0.017 -6.228 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.637 1.079 -5.802 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.397 0.617 -5.029 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.678 1.140 -4.831 1.00 0.00 C ATOM 0 H TRP A 335 2.037 -2.982 -9.833 1.00 0.00 H new ATOM 0 HA TRP A 335 4.965 -2.923 -10.083 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.710 -0.799 -10.230 1.00 0.00 H new ATOM 0 HB3 TRP A 335 2.961 -1.114 -8.678 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.583 -0.632 -10.068 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.009 0.553 -8.263 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.063 -0.386 -6.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.626 1.482 -5.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.666 0.682 -4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.916 1.605 -3.885 1.00 0.00 H new ATOM 669 N ARG A 336 5.587 -3.652 -7.776 1.00 0.00 N ATOM 670 CA ARG A 336 5.957 -4.268 -6.514 1.00 0.00 C ATOM 671 C ARG A 336 6.884 -3.338 -5.756 1.00 0.00 C ATOM 672 O ARG A 336 7.881 -2.868 -6.304 1.00 0.00 O ATOM 673 CB ARG A 336 6.640 -5.616 -6.747 1.00 0.00 C ATOM 674 CG ARG A 336 5.719 -6.690 -7.308 1.00 0.00 C ATOM 675 CD ARG A 336 6.449 -8.015 -7.467 1.00 0.00 C ATOM 676 NE ARG A 336 5.588 -9.057 -8.017 1.00 0.00 N ATOM 677 CZ ARG A 336 5.976 -10.312 -8.228 1.00 0.00 C ATOM 678 NH1 ARG A 336 7.194 -10.703 -7.869 1.00 0.00 N ATOM 679 NH2 ARG A 336 5.138 -11.178 -8.776 1.00 0.00 N ATOM 0 H ARG A 336 6.380 -3.383 -8.359 1.00 0.00 H new ATOM 0 HA ARG A 336 5.055 -4.443 -5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.475 -5.474 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.058 -5.967 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.863 -6.821 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.328 -6.369 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.311 -7.877 -8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.831 -8.336 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 336 4.628 -8.807 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 336 7.834 -10.041 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 336 7.489 -11.666 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 336 4.197 -10.883 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 336 5.433 -12.141 -8.939 1.00 0.00 H new ATOM 693 N CYS A 337 6.538 -3.054 -4.523 1.00 0.00 N ATOM 694 CA CYS A 337 7.331 -2.147 -3.706 1.00 0.00 C ATOM 695 C CYS A 337 8.623 -2.814 -3.237 1.00 0.00 C ATOM 696 O CYS A 337 8.832 -4.008 -3.468 1.00 0.00 O ATOM 697 CB CYS A 337 6.522 -1.656 -2.500 1.00 0.00 C ATOM 698 SG CYS A 337 5.889 -2.988 -1.431 1.00 0.00 S ATOM 0 H CYS A 337 5.714 -3.434 -4.057 1.00 0.00 H new ATOM 0 HA CYS A 337 7.594 -1.289 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.148 -0.993 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.681 -1.063 -2.859 1.00 0.00 H new ATOM 0 HG CYS A 337 5.863 -4.104 -2.097 1.00 0.00 H new ATOM 703 N SER A 338 9.464 -2.052 -2.556 1.00 0.00 N ATOM 704 CA SER A 338 10.760 -2.547 -2.104 1.00 0.00 C ATOM 705 C SER A 338 10.587 -3.754 -1.181 1.00 0.00 C ATOM 706 O SER A 338 11.329 -4.733 -1.272 1.00 0.00 O ATOM 707 CB SER A 338 11.493 -1.423 -1.381 1.00 0.00 C ATOM 708 OG SER A 338 11.272 -0.186 -2.043 1.00 0.00 O ATOM 0 H SER A 338 9.273 -1.083 -2.302 1.00 0.00 H new ATOM 0 HA SER A 338 11.344 -2.870 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.147 -1.358 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.561 -1.639 -1.346 1.00 0.00 H new ATOM 0 HG SER A 338 11.746 0.528 -1.568 1.00 0.00 H new ATOM 714 N SER A 339 9.586 -3.681 -0.311 1.00 0.00 N ATOM 715 CA SER A 339 9.250 -4.779 0.588 1.00 0.00 C ATOM 716 C SER A 339 9.042 -6.087 -0.186 1.00 0.00 C ATOM 717 O SER A 339 9.538 -7.136 0.221 1.00 0.00 O ATOM 718 CB SER A 339 7.992 -4.417 1.376 1.00 0.00 C ATOM 719 OG SER A 339 8.095 -3.098 1.889 1.00 0.00 O ATOM 0 H SER A 339 8.986 -2.862 -0.209 1.00 0.00 H new ATOM 0 HA SER A 339 10.080 -4.935 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.116 -4.497 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.852 -5.123 2.195 1.00 0.00 H new ATOM 0 HG SER A 339 7.201 -2.760 2.103 1.00 0.00 H new ATOM 725 N CYS A 340 8.327 -6.011 -1.303 1.00 0.00 N ATOM 726 CA CYS A 340 8.072 -7.187 -2.141 1.00 0.00 C ATOM 727 C CYS A 340 9.358 -7.688 -2.790 1.00 0.00 C ATOM 728 O CYS A 340 9.572 -8.893 -2.922 1.00 0.00 O ATOM 729 CB CYS A 340 7.042 -6.871 -3.220 1.00 0.00 C ATOM 730 SG CYS A 340 5.433 -6.317 -2.578 1.00 0.00 S ATOM 0 H CYS A 340 7.911 -5.148 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 340 7.679 -7.971 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.444 -6.098 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.889 -7.760 -3.832 1.00 0.00 H new ATOM 0 HG CYS A 340 4.728 -5.815 -3.548 1.00 0.00 H new ATOM 735 N LEU A 341 10.211 -6.759 -3.195 1.00 0.00 N ATOM 736 CA LEU A 341 11.467 -7.107 -3.848 1.00 0.00 C ATOM 737 C LEU A 341 12.433 -7.751 -2.853 1.00 0.00 C ATOM 738 O LEU A 341 13.210 -8.633 -3.214 1.00 0.00 O ATOM 739 CB LEU A 341 12.098 -5.863 -4.475 1.00 0.00 C ATOM 740 CG LEU A 341 11.241 -5.158 -5.528 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.936 -3.897 -6.014 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.953 -6.095 -6.684 1.00 0.00 C ATOM 0 H LEU A 341 10.057 -5.757 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 341 11.258 -7.830 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.327 -5.152 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.046 -6.147 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 341 10.291 -4.872 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.315 -3.405 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.094 -3.222 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.898 -4.159 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.342 -5.580 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.892 -6.408 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.418 -6.971 -6.318 1.00 0.00 H new