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 165:sc= -2.87! USER MOD Set 1.2: A 302 CYS SG : rot -50:sc= 0.303 USER MOD Set 1.3: A 319 HIS : no HD1:sc=-0.00146 K(o=-6,f=-10!) USER MOD Set 1.4: A 322 CYS SG : rot -156:sc= -3.46! USER MOD Set 2.1: A 311 CYS SG : rot -163:sc= 0.00459! USER MOD Set 2.2: A 314 CYS SG : rot 107:sc= 1.39 USER MOD Set 2.3: A 337 CYS SG : rot 180:sc= -0.637 USER MOD Set 2.4: A 339 SER OG : rot 130:sc= 0.322 USER MOD Set 2.5: A 340 CYS SG : rot 135:sc= 2.17 USER MOD Single : A 295 ASN :FLIP amide:sc= -0.233 F(o=-2.5!,f=-0.23) USER MOD Single : A 310 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 324 SER OG : rot 48:sc= 0.00189 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 39:sc= 0.113 USER MOD Single : A 338 SER OG : rot 180:sc=2.02e-05 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.921 -2.185 -0.073 1.00 0.00 N ATOM 86 CA ASN A 295 -5.591 -1.637 -0.280 1.00 0.00 C ATOM 87 C ASN A 295 -5.500 -0.313 0.462 1.00 0.00 C ATOM 88 O ASN A 295 -6.507 0.388 0.608 1.00 0.00 O ATOM 89 CB ASN A 295 -5.305 -1.438 -1.779 1.00 0.00 C ATOM 90 CG ASN A 295 -5.211 -2.748 -2.543 1.00 0.00 C ATOM 91 OD1 ASN A 295 -4.001 -3.279 -2.667 1.00 0.00 O flip ATOM 92 ND2 ASN A 295 -6.212 -3.272 -3.029 1.00 0.00 N flip ATOM 0 HA ASN A 295 -4.844 -2.332 0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -6.093 -0.825 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.371 -0.888 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -7.125 -2.833 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.129 -4.146 -3.549 1.00 0.00 H new ATOM 99 N GLU A 296 -4.317 0.030 0.945 1.00 0.00 N ATOM 100 CA GLU A 296 -4.158 1.224 1.752 1.00 0.00 C ATOM 101 C GLU A 296 -4.046 2.453 0.877 1.00 0.00 C ATOM 102 O GLU A 296 -3.262 2.487 -0.068 1.00 0.00 O ATOM 103 CB GLU A 296 -2.926 1.107 2.653 1.00 0.00 C ATOM 104 CG GLU A 296 -3.051 0.020 3.705 1.00 0.00 C ATOM 105 CD GLU A 296 -1.825 -0.083 4.587 1.00 0.00 C ATOM 106 OE1 GLU A 296 -1.549 0.873 5.347 1.00 0.00 O ATOM 107 OE2 GLU A 296 -1.143 -1.133 4.551 1.00 0.00 O ATOM 0 H GLU A 296 -3.459 -0.499 0.792 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.043 1.325 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.051 0.906 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.754 2.063 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.924 0.220 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.221 -0.938 3.213 1.00 0.00 H new ATOM 114 N ASP A 297 -4.848 3.452 1.192 1.00 0.00 N ATOM 115 CA ASP A 297 -4.843 4.707 0.456 1.00 0.00 C ATOM 116 C ASP A 297 -4.018 5.753 1.192 1.00 0.00 C ATOM 117 O ASP A 297 -4.301 6.951 1.131 1.00 0.00 O ATOM 118 CB ASP A 297 -6.275 5.198 0.244 1.00 0.00 C ATOM 119 CG ASP A 297 -7.014 5.449 1.536 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.343 4.466 2.237 1.00 0.00 O ATOM 121 OD2 ASP A 297 -7.285 6.623 1.857 1.00 0.00 O ATOM 0 H ASP A 297 -5.518 3.420 1.960 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.386 4.540 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.254 6.118 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.822 4.460 -0.343 1.00 0.00 H new ATOM 126 N GLU A 298 -2.985 5.282 1.879 1.00 0.00 N ATOM 127 CA GLU A 298 -2.082 6.143 2.628 1.00 0.00 C ATOM 128 C GLU A 298 -0.643 5.776 2.291 1.00 0.00 C ATOM 129 O GLU A 298 -0.283 4.597 2.297 1.00 0.00 O ATOM 130 CB GLU A 298 -2.314 5.993 4.134 1.00 0.00 C ATOM 131 CG GLU A 298 -3.568 6.686 4.631 1.00 0.00 C ATOM 132 CD GLU A 298 -3.430 8.191 4.649 1.00 0.00 C ATOM 133 OE1 GLU A 298 -2.929 8.730 5.661 1.00 0.00 O ATOM 134 OE2 GLU A 298 -3.827 8.843 3.670 1.00 0.00 O ATOM 0 H GLU A 298 -2.750 4.291 1.932 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.275 7.180 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.374 4.933 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.452 6.395 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.409 6.409 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -3.800 6.334 5.636 1.00 0.00 H new ATOM 141 N CYS A 299 0.165 6.775 1.975 1.00 0.00 N ATOM 142 CA CYS A 299 1.571 6.552 1.679 1.00 0.00 C ATOM 143 C CYS A 299 2.329 6.179 2.947 1.00 0.00 C ATOM 144 O CYS A 299 2.488 6.999 3.848 1.00 0.00 O ATOM 145 CB CYS A 299 2.204 7.793 1.051 1.00 0.00 C ATOM 146 SG CYS A 299 3.974 7.604 0.654 1.00 0.00 S ATOM 0 H CYS A 299 -0.129 7.750 1.917 1.00 0.00 H new ATOM 0 HA CYS A 299 1.634 5.730 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.662 8.042 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 299 2.083 8.634 1.733 1.00 0.00 H new ATOM 0 HG CYS A 299 4.345 8.564 -0.141 1.00 0.00 H new ATOM 151 N ALA A 300 2.778 4.931 3.002 1.00 0.00 N ATOM 152 CA ALA A 300 3.546 4.421 4.143 1.00 0.00 C ATOM 153 C ALA A 300 4.786 5.270 4.444 1.00 0.00 C ATOM 154 O ALA A 300 5.336 5.203 5.542 1.00 0.00 O ATOM 155 CB ALA A 300 3.948 2.974 3.898 1.00 0.00 C ATOM 0 H ALA A 300 2.624 4.244 2.264 1.00 0.00 H new ATOM 0 HA ALA A 300 2.898 4.479 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.518 2.605 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 300 3.053 2.365 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.561 2.914 2.999 1.00 0.00 H new ATOM 161 N VAL A 301 5.224 6.062 3.470 1.00 0.00 N ATOM 162 CA VAL A 301 6.379 6.932 3.661 1.00 0.00 C ATOM 163 C VAL A 301 6.011 8.169 4.484 1.00 0.00 C ATOM 164 O VAL A 301 6.450 8.320 5.616 1.00 0.00 O ATOM 165 CB VAL A 301 6.997 7.380 2.318 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.181 8.307 2.543 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.417 6.177 1.491 1.00 0.00 C ATOM 0 H VAL A 301 4.799 6.119 2.545 1.00 0.00 H new ATOM 0 HA VAL A 301 7.120 6.344 4.203 1.00 0.00 H new ATOM 0 HB VAL A 301 6.234 7.930 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.596 8.607 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.852 9.192 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.945 7.788 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.850 6.516 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 301 8.157 5.597 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.546 5.554 1.287 1.00 0.00 H new ATOM 177 N CYS A 302 5.177 9.037 3.913 1.00 0.00 N ATOM 178 CA CYS A 302 4.927 10.344 4.515 1.00 0.00 C ATOM 179 C CYS A 302 3.543 10.435 5.154 1.00 0.00 C ATOM 180 O CYS A 302 3.134 11.503 5.607 1.00 0.00 O ATOM 181 CB CYS A 302 5.080 11.438 3.459 1.00 0.00 C ATOM 182 SG CYS A 302 4.022 11.189 2.001 1.00 0.00 S ATOM 0 H CYS A 302 4.669 8.862 3.046 1.00 0.00 H new ATOM 0 HA CYS A 302 5.662 10.482 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.844 12.402 3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.121 11.481 3.140 1.00 0.00 H new ATOM 0 HG CYS A 302 4.163 9.972 1.565 1.00 0.00 H new ATOM 187 N ARG A 303 2.836 9.304 5.204 1.00 0.00 N ATOM 188 CA ARG A 303 1.492 9.240 5.786 1.00 0.00 C ATOM 189 C ARG A 303 0.539 10.243 5.141 1.00 0.00 C ATOM 190 O ARG A 303 -0.257 10.893 5.817 1.00 0.00 O ATOM 191 CB ARG A 303 1.567 9.442 7.300 1.00 0.00 C ATOM 192 CG ARG A 303 1.981 8.184 8.029 1.00 0.00 C ATOM 193 CD ARG A 303 2.456 8.490 9.438 1.00 0.00 C ATOM 194 NE ARG A 303 3.814 9.028 9.441 1.00 0.00 N ATOM 195 CZ ARG A 303 4.289 9.869 10.356 1.00 0.00 C ATOM 196 NH1 ARG A 303 3.519 10.287 11.356 1.00 0.00 N ATOM 197 NH2 ARG A 303 5.539 10.293 10.265 1.00 0.00 N ATOM 0 H ARG A 303 3.175 8.412 4.845 1.00 0.00 H new ATOM 0 HA ARG A 303 1.086 8.249 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 303 2.277 10.238 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.595 9.769 7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.140 7.492 8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.777 7.686 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.779 9.206 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 303 2.422 7.582 10.040 1.00 0.00 H new ATOM 0 HE ARG A 303 4.441 8.739 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 303 2.554 9.963 11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 303 3.893 10.932 12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 303 6.131 9.975 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 303 5.911 10.938 10.962 1.00 0.00 H new ATOM 211 N ASP A 304 0.631 10.364 3.823 1.00 0.00 N ATOM 212 CA ASP A 304 -0.218 11.279 3.064 1.00 0.00 C ATOM 213 C ASP A 304 -0.828 10.532 1.881 1.00 0.00 C ATOM 214 O ASP A 304 -0.377 9.435 1.545 1.00 0.00 O ATOM 215 CB ASP A 304 0.612 12.472 2.575 1.00 0.00 C ATOM 216 CG ASP A 304 -0.242 13.640 2.137 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.958 14.207 2.994 1.00 0.00 O ATOM 218 OD2 ASP A 304 -0.191 14.009 0.949 1.00 0.00 O ATOM 0 H ASP A 304 1.290 9.836 3.252 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.019 11.653 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.280 12.795 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.240 12.155 1.743 1.00 0.00 H new ATOM 223 N GLY A 305 -1.850 11.105 1.247 1.00 0.00 N ATOM 224 CA GLY A 305 -2.510 10.430 0.146 1.00 0.00 C ATOM 225 C GLY A 305 -2.453 11.231 -1.125 1.00 0.00 C ATOM 226 O GLY A 305 -1.568 12.073 -1.298 1.00 0.00 O ATOM 0 H GLY A 305 -2.230 12.023 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.041 9.459 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.551 10.242 0.409 1.00 0.00 H new ATOM 230 N GLY A 306 -3.396 10.987 -2.025 1.00 0.00 N ATOM 231 CA GLY A 306 -3.422 11.707 -3.286 1.00 0.00 C ATOM 232 C GLY A 306 -2.971 10.853 -4.451 1.00 0.00 C ATOM 233 O GLY A 306 -3.588 9.829 -4.748 1.00 0.00 O ATOM 0 H GLY A 306 -4.144 10.304 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.433 12.067 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.780 12.584 -3.213 1.00 0.00 H new ATOM 237 N GLU A 307 -1.884 11.262 -5.092 1.00 0.00 N ATOM 238 CA GLU A 307 -1.360 10.541 -6.247 1.00 0.00 C ATOM 239 C GLU A 307 -0.535 9.350 -5.782 1.00 0.00 C ATOM 240 O GLU A 307 0.696 9.353 -5.860 1.00 0.00 O ATOM 241 CB GLU A 307 -0.505 11.463 -7.114 1.00 0.00 C ATOM 242 CG GLU A 307 -1.225 12.719 -7.562 1.00 0.00 C ATOM 243 CD GLU A 307 -0.343 13.618 -8.397 1.00 0.00 C ATOM 244 OE1 GLU A 307 0.746 13.996 -7.914 1.00 0.00 O ATOM 245 OE2 GLU A 307 -0.738 13.967 -9.530 1.00 0.00 O ATOM 0 H GLU A 307 -1.347 12.089 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.199 10.185 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.388 11.746 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -0.171 10.913 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -2.108 12.443 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.574 13.267 -6.687 1.00 0.00 H new ATOM 252 N LEU A 308 -1.224 8.338 -5.292 1.00 0.00 N ATOM 253 CA LEU A 308 -0.577 7.162 -4.758 1.00 0.00 C ATOM 254 C LEU A 308 -0.533 6.052 -5.785 1.00 0.00 C ATOM 255 O LEU A 308 -1.370 5.978 -6.681 1.00 0.00 O ATOM 256 CB LEU A 308 -1.317 6.667 -3.521 1.00 0.00 C ATOM 257 CG LEU A 308 -1.286 7.608 -2.326 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.133 7.051 -1.206 1.00 0.00 C ATOM 259 CD2 LEU A 308 0.140 7.821 -1.858 1.00 0.00 C ATOM 0 H LEU A 308 -2.243 8.310 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 308 0.443 7.438 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.357 6.481 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -0.890 5.710 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.696 8.572 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.104 7.732 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.162 6.941 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -1.745 6.078 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 308 0.145 8.497 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.574 6.864 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.727 8.255 -2.667 1.00 0.00 H new ATOM 271 N ILE A 309 0.451 5.197 -5.631 1.00 0.00 N ATOM 272 CA ILE A 309 0.531 3.978 -6.400 1.00 0.00 C ATOM 273 C ILE A 309 0.610 2.808 -5.426 1.00 0.00 C ATOM 274 O ILE A 309 1.554 2.700 -4.645 1.00 0.00 O ATOM 275 CB ILE A 309 1.735 3.979 -7.384 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.853 2.623 -8.084 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.033 4.339 -6.668 1.00 0.00 C ATOM 278 CD1 ILE A 309 2.967 2.565 -9.110 1.00 0.00 C ATOM 0 H ILE A 309 1.217 5.327 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.359 3.888 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 309 1.555 4.742 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.020 1.850 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.907 2.393 -8.574 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.857 4.331 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.943 5.332 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.228 3.611 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 309 2.991 1.575 -9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.791 3.315 -9.881 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.921 2.763 -8.622 1.00 0.00 H new ATOM 290 N CYS A 310 -0.413 1.972 -5.432 1.00 0.00 N ATOM 291 CA CYS A 310 -0.462 0.851 -4.517 1.00 0.00 C ATOM 292 C CYS A 310 0.168 -0.361 -5.169 1.00 0.00 C ATOM 293 O CYS A 310 -0.042 -0.616 -6.352 1.00 0.00 O ATOM 294 CB CYS A 310 -1.912 0.549 -4.130 1.00 0.00 C ATOM 295 SG CYS A 310 -2.793 1.953 -3.400 1.00 0.00 S ATOM 0 H CYS A 310 -1.215 2.049 -6.057 1.00 0.00 H new ATOM 0 HA CYS A 310 0.093 1.101 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.452 0.217 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.922 -0.280 -3.422 1.00 0.00 H new ATOM 0 HG CYS A 310 -4.009 1.598 -3.109 1.00 0.00 H new ATOM 301 N CYS A 311 0.960 -1.090 -4.402 1.00 0.00 N ATOM 302 CA CYS A 311 1.613 -2.279 -4.914 1.00 0.00 C ATOM 303 C CYS A 311 0.588 -3.330 -5.334 1.00 0.00 C ATOM 304 O CYS A 311 -0.411 -3.548 -4.653 1.00 0.00 O ATOM 305 CB CYS A 311 2.553 -2.847 -3.859 1.00 0.00 C ATOM 306 SG CYS A 311 3.408 -4.364 -4.373 1.00 0.00 S ATOM 0 H CYS A 311 1.165 -0.879 -3.425 1.00 0.00 H new ATOM 0 HA CYS A 311 2.190 -2.003 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.296 -2.091 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.984 -3.052 -2.952 1.00 0.00 H new ATOM 0 HG CYS A 311 3.885 -4.969 -3.326 1.00 0.00 H new ATOM 311 N ASP A 312 0.863 -3.986 -6.456 1.00 0.00 N ATOM 312 CA ASP A 312 -0.052 -4.978 -7.019 1.00 0.00 C ATOM 313 C ASP A 312 -0.005 -6.289 -6.243 1.00 0.00 C ATOM 314 O ASP A 312 -0.643 -7.269 -6.623 1.00 0.00 O ATOM 315 CB ASP A 312 0.275 -5.237 -8.493 1.00 0.00 C ATOM 316 CG ASP A 312 -0.093 -4.069 -9.385 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.725 -3.135 -9.517 1.00 0.00 O ATOM 318 OD2 ASP A 312 -1.197 -4.084 -9.968 1.00 0.00 O ATOM 0 H ASP A 312 1.716 -3.849 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 312 -1.060 -4.571 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.340 -5.445 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -0.257 -6.127 -8.828 1.00 0.00 H new ATOM 323 N GLY A 313 0.760 -6.298 -5.168 1.00 0.00 N ATOM 324 CA GLY A 313 0.822 -7.462 -4.310 1.00 0.00 C ATOM 325 C GLY A 313 0.663 -7.089 -2.851 1.00 0.00 C ATOM 326 O GLY A 313 0.137 -7.863 -2.050 1.00 0.00 O ATOM 0 H GLY A 313 1.344 -5.516 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 313 0.039 -8.166 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 313 1.775 -7.971 -4.454 1.00 0.00 H new ATOM 330 N CYS A 314 1.102 -5.886 -2.515 1.00 0.00 N ATOM 331 CA CYS A 314 1.039 -5.397 -1.146 1.00 0.00 C ATOM 332 C CYS A 314 0.113 -4.187 -1.075 1.00 0.00 C ATOM 333 O CYS A 314 0.226 -3.269 -1.889 1.00 0.00 O ATOM 334 CB CYS A 314 2.435 -5.034 -0.634 1.00 0.00 C ATOM 335 SG CYS A 314 3.605 -6.429 -0.627 1.00 0.00 S ATOM 0 H CYS A 314 1.509 -5.226 -3.177 1.00 0.00 H new ATOM 0 HA CYS A 314 0.643 -6.187 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.842 -4.235 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.349 -4.640 0.379 1.00 0.00 H new ATOM 0 HG CYS A 314 4.462 -6.281 -1.593 1.00 0.00 H new ATOM 340 N PRO A 315 -0.812 -4.165 -0.108 1.00 0.00 N ATOM 341 CA PRO A 315 -1.817 -3.099 0.011 1.00 0.00 C ATOM 342 C PRO A 315 -1.207 -1.729 0.299 1.00 0.00 C ATOM 343 O PRO A 315 -1.873 -0.709 0.156 1.00 0.00 O ATOM 344 CB PRO A 315 -2.686 -3.551 1.192 1.00 0.00 C ATOM 345 CG PRO A 315 -1.831 -4.496 1.966 1.00 0.00 C ATOM 346 CD PRO A 315 -0.959 -5.179 0.950 1.00 0.00 C ATOM 0 HA PRO A 315 -2.366 -2.969 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.990 -2.702 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.598 -4.038 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.230 -3.965 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.439 -5.219 2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 315 0.005 -5.462 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.421 -6.091 0.572 1.00 0.00 H new ATOM 354 N ARG A 316 0.056 -1.723 0.700 1.00 0.00 N ATOM 355 CA ARG A 316 0.750 -0.492 1.051 1.00 0.00 C ATOM 356 C ARG A 316 0.954 0.401 -0.175 1.00 0.00 C ATOM 357 O ARG A 316 1.304 -0.078 -1.262 1.00 0.00 O ATOM 358 CB ARG A 316 2.087 -0.831 1.712 1.00 0.00 C ATOM 359 CG ARG A 316 1.918 -1.722 2.941 1.00 0.00 C ATOM 360 CD ARG A 316 3.245 -2.179 3.513 1.00 0.00 C ATOM 361 NE ARG A 316 3.056 -3.094 4.644 1.00 0.00 N ATOM 362 CZ ARG A 316 3.996 -3.918 5.108 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.193 -3.960 4.536 1.00 0.00 N ATOM 364 NH2 ARG A 316 3.738 -4.711 6.140 1.00 0.00 N ATOM 0 H ARG A 316 0.625 -2.564 0.791 1.00 0.00 H new ATOM 0 HA ARG A 316 0.136 0.067 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.730 -1.332 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.591 0.091 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.364 -1.179 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.321 -2.594 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.826 -2.675 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.821 -1.312 3.837 1.00 0.00 H new ATOM 0 HE ARG A 316 2.146 -3.100 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 316 5.398 -3.360 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 316 5.908 -4.592 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 316 2.818 -4.691 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 316 4.459 -5.340 6.493 1.00 0.00 H new ATOM 378 N ALA A 317 0.720 1.701 0.010 1.00 0.00 N ATOM 379 CA ALA A 317 0.800 2.668 -1.082 1.00 0.00 C ATOM 380 C ALA A 317 1.931 3.660 -0.856 1.00 0.00 C ATOM 381 O ALA A 317 2.359 3.887 0.284 1.00 0.00 O ATOM 382 CB ALA A 317 -0.517 3.414 -1.229 1.00 0.00 C ATOM 0 H ALA A 317 0.472 2.109 0.912 1.00 0.00 H new ATOM 0 HA ALA A 317 1.004 2.116 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.440 4.130 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.316 2.704 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.741 3.943 -0.303 1.00 0.00 H new ATOM 388 N PHE A 318 2.407 4.250 -1.943 1.00 0.00 N ATOM 389 CA PHE A 318 3.524 5.190 -1.894 1.00 0.00 C ATOM 390 C PHE A 318 3.356 6.281 -2.938 1.00 0.00 C ATOM 391 O PHE A 318 2.598 6.112 -3.896 1.00 0.00 O ATOM 392 CB PHE A 318 4.848 4.452 -2.139 1.00 0.00 C ATOM 393 CG PHE A 318 5.104 3.310 -1.203 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.655 3.536 0.046 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.795 2.006 -1.564 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.888 2.490 0.923 1.00 0.00 C ATOM 397 CE2 PHE A 318 5.026 0.958 -0.698 1.00 0.00 C ATOM 398 CZ PHE A 318 5.573 1.199 0.543 1.00 0.00 C ATOM 0 H PHE A 318 2.034 4.094 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 318 3.539 5.647 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.856 4.076 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.668 5.165 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.907 4.544 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.368 1.809 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.313 2.682 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.778 -0.051 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.756 0.378 1.220 1.00 0.00 H new ATOM 408 N HIS A 319 4.044 7.407 -2.748 1.00 0.00 N ATOM 409 CA HIS A 319 4.116 8.453 -3.767 1.00 0.00 C ATOM 410 C HIS A 319 5.352 8.240 -4.636 1.00 0.00 C ATOM 411 O HIS A 319 6.357 7.702 -4.156 1.00 0.00 O ATOM 412 CB HIS A 319 4.182 9.856 -3.149 1.00 0.00 C ATOM 413 CG HIS A 319 2.924 10.319 -2.479 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.863 10.480 -1.128 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.740 10.697 -3.020 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.660 10.953 -0.861 1.00 0.00 C ATOM 417 NE2 HIS A 319 0.943 11.101 -1.980 1.00 0.00 N ATOM 0 H HIS A 319 4.561 7.618 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 319 3.208 8.386 -4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.992 9.876 -2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.441 10.569 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.476 10.683 -4.067 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.302 11.189 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 319 -0.014 11.448 -2.047 1.00 0.00 H new ATOM 425 N LEU A 320 5.289 8.679 -5.880 1.00 0.00 N ATOM 426 CA LEU A 320 6.356 8.422 -6.848 1.00 0.00 C ATOM 427 C LEU A 320 7.719 8.872 -6.322 1.00 0.00 C ATOM 428 O LEU A 320 8.636 8.058 -6.185 1.00 0.00 O ATOM 429 CB LEU A 320 6.048 9.128 -8.169 1.00 0.00 C ATOM 430 CG LEU A 320 4.755 8.686 -8.857 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.567 9.437 -10.164 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.762 7.185 -9.106 1.00 0.00 C ATOM 0 H LEU A 320 4.508 9.219 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 320 6.401 7.345 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 320 5.995 10.201 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.880 8.963 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 320 3.920 8.920 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.643 9.111 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.515 10.507 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.409 9.232 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 320 3.833 6.893 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.606 6.926 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 320 4.852 6.659 -8.156 1.00 0.00 H new ATOM 444 N ALA A 321 7.838 10.152 -5.982 1.00 0.00 N ATOM 445 CA ALA A 321 9.114 10.707 -5.531 1.00 0.00 C ATOM 446 C ALA A 321 9.465 10.277 -4.106 1.00 0.00 C ATOM 447 O ALA A 321 10.602 10.450 -3.660 1.00 0.00 O ATOM 448 CB ALA A 321 9.085 12.225 -5.631 1.00 0.00 C ATOM 0 H ALA A 321 7.071 10.824 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 321 9.891 10.311 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.039 12.630 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 321 8.912 12.518 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.283 12.616 -5.005 1.00 0.00 H new ATOM 454 N CYS A 322 8.484 9.738 -3.399 1.00 0.00 N ATOM 455 CA CYS A 322 8.709 9.248 -2.053 1.00 0.00 C ATOM 456 C CYS A 322 9.425 7.902 -2.075 1.00 0.00 C ATOM 457 O CYS A 322 10.065 7.513 -1.100 1.00 0.00 O ATOM 458 CB CYS A 322 7.393 9.148 -1.284 1.00 0.00 C ATOM 459 SG CYS A 322 6.598 10.759 -0.985 1.00 0.00 S ATOM 0 H CYS A 322 7.527 9.630 -3.736 1.00 0.00 H new ATOM 0 HA CYS A 322 9.350 9.963 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.705 8.510 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.577 8.660 -0.327 1.00 0.00 H new ATOM 0 HG CYS A 322 5.814 10.671 0.048 1.00 0.00 H new ATOM 464 N LEU A 323 9.324 7.197 -3.202 1.00 0.00 N ATOM 465 CA LEU A 323 10.094 5.973 -3.410 1.00 0.00 C ATOM 466 C LEU A 323 11.589 6.258 -3.322 1.00 0.00 C ATOM 467 O LEU A 323 12.030 7.382 -3.557 1.00 0.00 O ATOM 468 CB LEU A 323 9.781 5.335 -4.761 1.00 0.00 C ATOM 469 CG LEU A 323 8.767 4.188 -4.755 1.00 0.00 C ATOM 470 CD1 LEU A 323 9.217 3.084 -3.814 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.386 4.687 -4.372 1.00 0.00 C ATOM 0 H LEU A 323 8.718 7.452 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 323 9.808 5.275 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.412 6.113 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.713 4.964 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 323 8.711 3.780 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.484 2.277 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 323 10.184 2.700 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 323 9.307 3.482 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.684 3.853 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.422 5.128 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.059 5.439 -5.090 1.00 0.00 H new ATOM 483 N SER A 324 12.357 5.248 -2.950 1.00 0.00 N ATOM 484 CA SER A 324 13.807 5.337 -2.972 1.00 0.00 C ATOM 485 C SER A 324 14.401 4.067 -3.580 1.00 0.00 C ATOM 486 O SER A 324 14.335 2.995 -2.978 1.00 0.00 O ATOM 487 CB SER A 324 14.338 5.584 -1.556 1.00 0.00 C ATOM 488 OG SER A 324 13.628 4.811 -0.598 1.00 0.00 O ATOM 0 H SER A 324 11.997 4.350 -2.627 1.00 0.00 H new ATOM 0 HA SER A 324 14.109 6.179 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 324 15.398 5.335 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 324 14.249 6.642 -1.311 1.00 0.00 H new ATOM 0 HG SER A 324 13.561 3.884 -0.910 1.00 0.00 H new ATOM 494 N PRO A 325 14.973 4.148 -4.797 1.00 0.00 N ATOM 495 CA PRO A 325 15.105 5.396 -5.566 1.00 0.00 C ATOM 496 C PRO A 325 13.760 5.941 -6.035 1.00 0.00 C ATOM 497 O PRO A 325 12.841 5.176 -6.339 1.00 0.00 O ATOM 498 CB PRO A 325 15.963 4.980 -6.767 1.00 0.00 C ATOM 499 CG PRO A 325 15.727 3.519 -6.908 1.00 0.00 C ATOM 500 CD PRO A 325 15.543 2.998 -5.510 1.00 0.00 C ATOM 0 HA PRO A 325 15.539 6.198 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.670 5.518 -7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 325 17.017 5.197 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.845 3.322 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.570 3.032 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.875 2.137 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 325 16.489 2.680 -5.071 1.00 0.00 H new ATOM 508 N PRO A 326 13.634 7.279 -6.086 1.00 0.00 N ATOM 509 CA PRO A 326 12.387 7.957 -6.458 1.00 0.00 C ATOM 510 C PRO A 326 11.881 7.541 -7.835 1.00 0.00 C ATOM 511 O PRO A 326 12.608 7.607 -8.825 1.00 0.00 O ATOM 512 CB PRO A 326 12.765 9.442 -6.461 1.00 0.00 C ATOM 513 CG PRO A 326 13.965 9.535 -5.585 1.00 0.00 C ATOM 514 CD PRO A 326 14.705 8.240 -5.764 1.00 0.00 C ATOM 0 HA PRO A 326 11.579 7.709 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.985 9.791 -7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.950 10.058 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.589 10.384 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.678 9.681 -4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.441 8.305 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 326 15.242 7.955 -4.859 1.00 0.00 H new ATOM 522 N LEU A 327 10.637 7.097 -7.872 1.00 0.00 N ATOM 523 CA LEU A 327 9.993 6.720 -9.121 1.00 0.00 C ATOM 524 C LEU A 327 9.541 7.980 -9.848 1.00 0.00 C ATOM 525 O LEU A 327 8.966 8.884 -9.250 1.00 0.00 O ATOM 526 CB LEU A 327 8.802 5.797 -8.820 1.00 0.00 C ATOM 527 CG LEU A 327 8.126 5.171 -10.043 1.00 0.00 C ATOM 528 CD1 LEU A 327 9.124 4.357 -10.859 1.00 0.00 C ATOM 529 CD2 LEU A 327 6.960 4.298 -9.606 1.00 0.00 C ATOM 0 H LEU A 327 10.048 6.988 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 327 10.691 6.181 -9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 327 9.143 4.995 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.055 6.366 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 327 7.748 5.974 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 327 8.620 3.923 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.931 5.006 -11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.536 3.560 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 327 6.486 3.858 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.324 3.504 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.233 4.905 -9.067 1.00 0.00 H new ATOM 541 N ARG A 328 9.827 8.047 -11.140 1.00 0.00 N ATOM 542 CA ARG A 328 9.589 9.264 -11.907 1.00 0.00 C ATOM 543 C ARG A 328 8.163 9.322 -12.435 1.00 0.00 C ATOM 544 O ARG A 328 7.517 10.368 -12.372 1.00 0.00 O ATOM 545 CB ARG A 328 10.589 9.369 -13.059 1.00 0.00 C ATOM 546 CG ARG A 328 12.037 9.346 -12.605 1.00 0.00 C ATOM 547 CD ARG A 328 12.334 10.493 -11.657 1.00 0.00 C ATOM 548 NE ARG A 328 13.635 10.354 -11.004 1.00 0.00 N ATOM 549 CZ ARG A 328 13.965 10.965 -9.871 1.00 0.00 C ATOM 550 NH1 ARG A 328 13.091 11.762 -9.263 1.00 0.00 N ATOM 551 NH2 ARG A 328 15.167 10.781 -9.345 1.00 0.00 N ATOM 0 H ARG A 328 10.223 7.277 -11.679 1.00 0.00 H new ATOM 0 HA ARG A 328 9.729 10.113 -11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.420 8.545 -13.753 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.403 10.292 -13.609 1.00 0.00 H new ATOM 0 HG2 ARG A 328 12.251 8.398 -12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 328 12.694 9.409 -13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.306 11.433 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 328 11.553 10.545 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 328 14.331 9.752 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.165 11.905 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 328 13.347 12.230 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 328 15.839 10.170 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 328 15.420 11.250 -8.475 1.00 0.00 H new ATOM 565 N GLU A 329 7.675 8.203 -12.954 1.00 0.00 N ATOM 566 CA GLU A 329 6.341 8.150 -13.528 1.00 0.00 C ATOM 567 C GLU A 329 5.649 6.850 -13.149 1.00 0.00 C ATOM 568 O GLU A 329 6.297 5.901 -12.711 1.00 0.00 O ATOM 569 CB GLU A 329 6.410 8.277 -15.051 1.00 0.00 C ATOM 570 CG GLU A 329 7.033 9.577 -15.522 1.00 0.00 C ATOM 571 CD GLU A 329 6.971 9.735 -17.025 1.00 0.00 C ATOM 572 OE1 GLU A 329 7.743 9.053 -17.731 1.00 0.00 O ATOM 573 OE2 GLU A 329 6.148 10.548 -17.507 1.00 0.00 O ATOM 0 H GLU A 329 8.185 7.320 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 329 5.764 8.985 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.985 7.442 -15.452 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.403 8.197 -15.460 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.520 10.415 -15.050 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.073 9.617 -15.198 1.00 0.00 H new ATOM 580 N ILE A 330 4.335 6.816 -13.318 1.00 0.00 N ATOM 581 CA ILE A 330 3.547 5.638 -13.002 1.00 0.00 C ATOM 582 C ILE A 330 3.701 4.576 -14.082 1.00 0.00 C ATOM 583 O ILE A 330 3.316 4.796 -15.235 1.00 0.00 O ATOM 584 CB ILE A 330 2.053 5.988 -12.836 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.870 7.062 -11.760 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.245 4.743 -12.497 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.431 7.505 -11.571 1.00 0.00 C ATOM 0 H ILE A 330 3.790 7.600 -13.676 1.00 0.00 H new ATOM 0 HA ILE A 330 3.921 5.245 -12.057 1.00 0.00 H new ATOM 0 HB ILE A 330 1.685 6.385 -13.782 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.250 6.681 -10.812 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.476 7.930 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.194 5.011 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.349 4.012 -13.299 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.612 4.314 -11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.384 8.267 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.052 7.918 -12.506 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -0.178 6.649 -11.279 1.00 0.00 H new ATOM 599 N PRO A 331 4.279 3.420 -13.735 1.00 0.00 N ATOM 600 CA PRO A 331 4.467 2.315 -14.677 1.00 0.00 C ATOM 601 C PRO A 331 3.145 1.651 -15.042 1.00 0.00 C ATOM 602 O PRO A 331 2.283 1.437 -14.188 1.00 0.00 O ATOM 603 CB PRO A 331 5.361 1.323 -13.913 1.00 0.00 C ATOM 604 CG PRO A 331 5.841 2.057 -12.709 1.00 0.00 C ATOM 605 CD PRO A 331 4.800 3.096 -12.407 1.00 0.00 C ATOM 0 HA PRO A 331 4.900 2.655 -15.617 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.803 0.430 -13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.197 0.994 -14.530 1.00 0.00 H new ATOM 0 HG2 PRO A 331 5.970 1.379 -11.866 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.810 2.520 -12.896 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.021 2.710 -11.749 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.229 3.969 -11.916 1.00 0.00 H new ATOM 613 N SER A 332 2.990 1.327 -16.321 1.00 0.00 N ATOM 614 CA SER A 332 1.778 0.689 -16.804 1.00 0.00 C ATOM 615 C SER A 332 1.900 -0.829 -16.700 1.00 0.00 C ATOM 616 O SER A 332 1.907 -1.535 -17.714 1.00 0.00 O ATOM 617 CB SER A 332 1.503 1.109 -18.250 1.00 0.00 C ATOM 618 OG SER A 332 1.372 2.519 -18.350 1.00 0.00 O ATOM 0 H SER A 332 3.692 1.498 -17.041 1.00 0.00 H new ATOM 0 HA SER A 332 0.941 1.009 -16.184 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.315 0.768 -18.893 1.00 0.00 H new ATOM 0 HB3 SER A 332 0.592 0.629 -18.606 1.00 0.00 H new ATOM 0 HG SER A 332 1.198 2.766 -19.282 1.00 0.00 H new ATOM 624 N GLY A 333 2.005 -1.319 -15.480 1.00 0.00 N ATOM 625 CA GLY A 333 2.148 -2.741 -15.244 1.00 0.00 C ATOM 626 C GLY A 333 2.079 -3.069 -13.777 1.00 0.00 C ATOM 627 O GLY A 333 1.840 -2.184 -12.949 1.00 0.00 O ATOM 0 H GLY A 333 1.994 -0.750 -14.634 1.00 0.00 H new ATOM 0 HA2 GLY A 333 1.363 -3.279 -15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 333 3.100 -3.084 -15.650 1.00 0.00 H new ATOM 631 N THR A 334 2.294 -4.333 -13.435 1.00 0.00 N ATOM 632 CA THR A 334 2.252 -4.767 -12.050 1.00 0.00 C ATOM 633 C THR A 334 3.500 -4.310 -11.303 1.00 0.00 C ATOM 634 O THR A 334 4.627 -4.662 -11.660 1.00 0.00 O ATOM 635 CB THR A 334 2.103 -6.294 -11.955 1.00 0.00 C ATOM 636 OG1 THR A 334 3.059 -6.936 -12.809 1.00 0.00 O ATOM 637 CG2 THR A 334 0.699 -6.730 -12.349 1.00 0.00 C ATOM 0 H THR A 334 2.500 -5.076 -14.103 1.00 0.00 H new ATOM 0 HA THR A 334 1.380 -4.309 -11.583 1.00 0.00 H new ATOM 0 HB THR A 334 2.282 -6.587 -10.920 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.907 -6.446 -12.778 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.620 -7.814 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.027 -6.266 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.497 -6.422 -13.375 1.00 0.00 H new ATOM 645 N TRP A 335 3.285 -3.492 -10.290 1.00 0.00 N ATOM 646 CA TRP A 335 4.371 -2.891 -9.541 1.00 0.00 C ATOM 647 C TRP A 335 4.560 -3.614 -8.213 1.00 0.00 C ATOM 648 O TRP A 335 3.591 -4.087 -7.604 1.00 0.00 O ATOM 649 CB TRP A 335 4.062 -1.408 -9.313 1.00 0.00 C ATOM 650 CG TRP A 335 5.171 -0.642 -8.658 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.353 -0.271 -9.232 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.188 -0.130 -7.323 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.111 0.431 -8.330 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.418 0.533 -7.147 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.285 -0.169 -6.259 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.763 1.151 -5.954 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.631 0.445 -5.073 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.861 1.098 -4.929 1.00 0.00 C ATOM 0 H TRP A 335 2.356 -3.226 -9.964 1.00 0.00 H new ATOM 0 HA TRP A 335 5.299 -2.980 -10.106 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.833 -0.945 -10.273 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.166 -1.326 -8.698 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.647 -0.497 -10.246 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.039 0.815 -8.508 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.334 -0.670 -6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.711 1.656 -5.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.942 0.422 -4.242 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.102 1.570 -3.988 1.00 0.00 H new ATOM 669 N ARG A 336 5.808 -3.714 -7.766 1.00 0.00 N ATOM 670 CA ARG A 336 6.132 -4.341 -6.490 1.00 0.00 C ATOM 671 C ARG A 336 6.906 -3.363 -5.617 1.00 0.00 C ATOM 672 O ARG A 336 7.886 -2.765 -6.060 1.00 0.00 O ATOM 673 CB ARG A 336 6.968 -5.606 -6.701 1.00 0.00 C ATOM 674 CG ARG A 336 6.217 -6.727 -7.401 1.00 0.00 C ATOM 675 CD ARG A 336 7.062 -7.984 -7.509 1.00 0.00 C ATOM 676 NE ARG A 336 8.264 -7.778 -8.312 1.00 0.00 N ATOM 677 CZ ARG A 336 8.892 -8.745 -8.975 1.00 0.00 C ATOM 678 NH1 ARG A 336 8.408 -9.981 -8.966 1.00 0.00 N ATOM 679 NH2 ARG A 336 9.995 -8.472 -9.651 1.00 0.00 N ATOM 0 H ARG A 336 6.619 -3.364 -8.276 1.00 0.00 H new ATOM 0 HA ARG A 336 5.199 -4.617 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.852 -5.353 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.318 -5.965 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.301 -6.950 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.921 -6.400 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.348 -8.314 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.466 -8.783 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 336 8.646 -6.834 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 336 7.553 -10.190 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 336 8.891 -10.721 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 336 10.363 -7.521 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 336 10.478 -9.213 -10.160 1.00 0.00 H new ATOM 693 N CYS A 337 6.456 -3.190 -4.394 1.00 0.00 N ATOM 694 CA CYS A 337 7.107 -2.270 -3.479 1.00 0.00 C ATOM 695 C CYS A 337 8.267 -2.953 -2.752 1.00 0.00 C ATOM 696 O CYS A 337 8.585 -4.109 -3.045 1.00 0.00 O ATOM 697 CB CYS A 337 6.100 -1.729 -2.464 1.00 0.00 C ATOM 698 SG CYS A 337 5.309 -3.011 -1.441 1.00 0.00 S ATOM 0 H CYS A 337 5.644 -3.672 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 337 7.506 -1.439 -4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 337 6.606 -1.019 -1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.326 -1.176 -2.996 1.00 0.00 H new ATOM 0 HG CYS A 337 4.476 -2.453 -0.613 1.00 0.00 H new ATOM 703 N SER A 338 8.871 -2.253 -1.805 1.00 0.00 N ATOM 704 CA SER A 338 10.020 -2.779 -1.075 1.00 0.00 C ATOM 705 C SER A 338 9.650 -4.062 -0.335 1.00 0.00 C ATOM 706 O SER A 338 10.446 -4.996 -0.255 1.00 0.00 O ATOM 707 CB SER A 338 10.523 -1.726 -0.094 1.00 0.00 C ATOM 708 OG SER A 338 10.666 -0.468 -0.739 1.00 0.00 O ATOM 0 H SER A 338 8.586 -1.316 -1.521 1.00 0.00 H new ATOM 0 HA SER A 338 10.812 -3.017 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 338 9.827 -1.636 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 338 11.481 -2.038 0.323 1.00 0.00 H new ATOM 0 HG SER A 338 10.988 0.196 -0.094 1.00 0.00 H new ATOM 714 N SER A 339 8.433 -4.101 0.197 1.00 0.00 N ATOM 715 CA SER A 339 7.931 -5.272 0.917 1.00 0.00 C ATOM 716 C SER A 339 7.997 -6.542 0.056 1.00 0.00 C ATOM 717 O SER A 339 8.303 -7.623 0.557 1.00 0.00 O ATOM 718 CB SER A 339 6.504 -4.998 1.378 1.00 0.00 C ATOM 719 OG SER A 339 6.448 -3.760 2.074 1.00 0.00 O ATOM 0 H SER A 339 7.769 -3.329 0.144 1.00 0.00 H new ATOM 0 HA SER A 339 8.567 -5.449 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 339 5.834 -4.972 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.161 -5.805 2.026 1.00 0.00 H new ATOM 0 HG SER A 339 5.721 -3.213 1.710 1.00 0.00 H new ATOM 725 N CYS A 340 7.712 -6.408 -1.234 1.00 0.00 N ATOM 726 CA CYS A 340 7.826 -7.531 -2.164 1.00 0.00 C ATOM 727 C CYS A 340 9.285 -7.952 -2.338 1.00 0.00 C ATOM 728 O CYS A 340 9.589 -9.134 -2.498 1.00 0.00 O ATOM 729 CB CYS A 340 7.228 -7.172 -3.523 1.00 0.00 C ATOM 730 SG CYS A 340 5.474 -6.702 -3.450 1.00 0.00 S ATOM 0 H CYS A 340 7.401 -5.536 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 340 7.268 -8.367 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.798 -6.349 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.339 -8.023 -4.195 1.00 0.00 H new ATOM 0 HG CYS A 340 5.281 -5.633 -4.164 1.00 0.00 H new ATOM 735 N LEU A 341 10.184 -6.977 -2.308 1.00 0.00 N ATOM 736 CA LEU A 341 11.602 -7.240 -2.515 1.00 0.00 C ATOM 737 C LEU A 341 12.252 -7.809 -1.253 1.00 0.00 C ATOM 738 O LEU A 341 13.096 -8.698 -1.330 1.00 0.00 O ATOM 739 CB LEU A 341 12.322 -5.959 -2.948 1.00 0.00 C ATOM 740 CG LEU A 341 11.813 -5.336 -4.254 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.573 -4.057 -4.559 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.941 -6.326 -5.405 1.00 0.00 C ATOM 0 H LEU A 341 9.956 -5.997 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 341 11.692 -7.985 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.229 -5.221 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.384 -6.177 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 341 10.758 -5.090 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 341 12.201 -3.626 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.429 -3.346 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.635 -4.280 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.575 -5.866 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.987 -6.604 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.352 -7.217 -5.186 1.00 0.00 H new