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 311 CYS SG : rot -143:sc= 0.43 USER MOD Set 1.2: A 314 CYS SG : rot 99:sc= 0.633 USER MOD Set 1.3: A 337 CYS SG : rot 180:sc= -1.22 USER MOD Set 1.4: A 340 CYS SG : rot 157:sc= 1.99 USER MOD Set 2.1: A 299 CYS SG : rot 149:sc= 1.54 USER MOD Set 2.2: A 302 CYS SG : rot 141:sc= -1.87 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.748 K(o=-3.2,f=-9.2) USER MOD Set 2.4: A 322 CYS SG : rot 177:sc= -2.11! USER MOD Set 3.1: A 295 ASN : amide:sc= -1.57 K(o=-2.8,f=-1.9) USER MOD Set 3.2: A 310 CYS SG : rot 24:sc= -1.26 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= 0.461 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot 120:sc= -0.211 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -7.116 -2.298 -1.435 1.00 0.00 N ATOM 86 CA ASN A 295 -5.810 -1.814 -1.010 1.00 0.00 C ATOM 87 C ASN A 295 -5.944 -0.540 -0.183 1.00 0.00 C ATOM 88 O ASN A 295 -7.000 0.096 -0.175 1.00 0.00 O ATOM 89 CB ASN A 295 -4.924 -1.550 -2.224 1.00 0.00 C ATOM 90 CG ASN A 295 -5.514 -0.502 -3.140 1.00 0.00 C ATOM 91 OD1 ASN A 295 -6.252 -0.822 -4.075 1.00 0.00 O ATOM 92 ND2 ASN A 295 -5.192 0.760 -2.885 1.00 0.00 N ATOM 0 HA ASN A 295 -5.350 -2.583 -0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.939 -1.226 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.783 -2.478 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -5.558 1.509 -3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -4.578 0.981 -2.101 1.00 0.00 H new ATOM 99 N GLU A 296 -4.869 -0.172 0.501 1.00 0.00 N ATOM 100 CA GLU A 296 -4.864 1.027 1.332 1.00 0.00 C ATOM 101 C GLU A 296 -4.651 2.271 0.475 1.00 0.00 C ATOM 102 O GLU A 296 -3.741 2.318 -0.353 1.00 0.00 O ATOM 103 CB GLU A 296 -3.773 0.934 2.395 1.00 0.00 C ATOM 104 CG GLU A 296 -3.719 2.135 3.330 1.00 0.00 C ATOM 105 CD GLU A 296 -2.650 2.002 4.395 1.00 0.00 C ATOM 106 OE1 GLU A 296 -1.476 2.309 4.102 1.00 0.00 O ATOM 107 OE2 GLU A 296 -2.987 1.590 5.527 1.00 0.00 O ATOM 0 H GLU A 296 -3.988 -0.686 0.498 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.832 1.104 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -3.931 0.032 2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.807 0.826 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.533 3.036 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -4.690 2.260 3.810 1.00 0.00 H new ATOM 114 N ASP A 297 -5.497 3.274 0.683 1.00 0.00 N ATOM 115 CA ASP A 297 -5.409 4.524 -0.068 1.00 0.00 C ATOM 116 C ASP A 297 -4.728 5.604 0.762 1.00 0.00 C ATOM 117 O ASP A 297 -5.035 6.790 0.633 1.00 0.00 O ATOM 118 CB ASP A 297 -6.804 4.990 -0.490 1.00 0.00 C ATOM 119 CG ASP A 297 -7.481 4.010 -1.428 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.103 3.968 -2.611 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.387 3.280 -0.970 1.00 0.00 O ATOM 0 H ASP A 297 -6.254 3.247 1.367 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.811 4.344 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.423 5.126 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.728 5.962 -0.978 1.00 0.00 H new ATOM 126 N GLU A 298 -3.799 5.188 1.613 1.00 0.00 N ATOM 127 CA GLU A 298 -3.078 6.112 2.471 1.00 0.00 C ATOM 128 C GLU A 298 -1.581 5.805 2.454 1.00 0.00 C ATOM 129 O GLU A 298 -1.172 4.649 2.568 1.00 0.00 O ATOM 130 CB GLU A 298 -3.621 6.017 3.899 1.00 0.00 C ATOM 131 CG GLU A 298 -2.691 6.598 4.954 1.00 0.00 C ATOM 132 CD GLU A 298 -2.495 8.096 4.796 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.414 8.855 5.174 1.00 0.00 O ATOM 134 OE2 GLU A 298 -1.427 8.508 4.300 1.00 0.00 O ATOM 0 H GLU A 298 -3.528 4.211 1.726 1.00 0.00 H new ATOM 0 HA GLU A 298 -3.223 7.126 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -4.579 6.536 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -3.813 4.970 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -3.096 6.390 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -1.723 6.100 4.894 1.00 0.00 H new ATOM 141 N CYS A 299 -0.772 6.852 2.317 1.00 0.00 N ATOM 142 CA CYS A 299 0.679 6.705 2.284 1.00 0.00 C ATOM 143 C CYS A 299 1.201 6.226 3.636 1.00 0.00 C ATOM 144 O CYS A 299 0.525 6.359 4.655 1.00 0.00 O ATOM 145 CB CYS A 299 1.339 8.031 1.908 1.00 0.00 C ATOM 146 SG CYS A 299 3.133 7.913 1.610 1.00 0.00 S ATOM 0 H CYS A 299 -1.099 7.814 2.227 1.00 0.00 H new ATOM 0 HA CYS A 299 0.930 5.959 1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.858 8.422 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.161 8.752 2.706 1.00 0.00 H new ATOM 0 HG CYS A 299 3.484 8.792 0.719 1.00 0.00 H new ATOM 151 N ALA A 300 2.410 5.673 3.637 1.00 0.00 N ATOM 152 CA ALA A 300 3.020 5.170 4.857 1.00 0.00 C ATOM 153 C ALA A 300 4.358 5.859 5.101 1.00 0.00 C ATOM 154 O ALA A 300 5.124 5.466 5.979 1.00 0.00 O ATOM 155 CB ALA A 300 3.205 3.661 4.776 1.00 0.00 C ATOM 0 H ALA A 300 2.986 5.563 2.802 1.00 0.00 H new ATOM 0 HA ALA A 300 2.358 5.391 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.663 3.301 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.235 3.182 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.850 3.418 3.931 1.00 0.00 H new ATOM 161 N VAL A 301 4.626 6.892 4.312 1.00 0.00 N ATOM 162 CA VAL A 301 5.868 7.648 4.419 1.00 0.00 C ATOM 163 C VAL A 301 5.631 9.038 5.002 1.00 0.00 C ATOM 164 O VAL A 301 6.208 9.391 6.034 1.00 0.00 O ATOM 165 CB VAL A 301 6.553 7.792 3.046 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.877 8.528 3.179 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.757 6.427 2.405 1.00 0.00 C ATOM 0 H VAL A 301 3.994 7.228 3.585 1.00 0.00 H new ATOM 0 HA VAL A 301 6.518 7.087 5.091 1.00 0.00 H new ATOM 0 HB VAL A 301 5.902 8.380 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.343 8.618 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.701 9.522 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.537 7.972 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.242 6.549 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.385 5.812 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 301 5.791 5.941 2.269 1.00 0.00 H new ATOM 177 N CYS A 302 4.782 9.821 4.348 1.00 0.00 N ATOM 178 CA CYS A 302 4.483 11.177 4.801 1.00 0.00 C ATOM 179 C CYS A 302 3.019 11.317 5.214 1.00 0.00 C ATOM 180 O CYS A 302 2.543 12.421 5.478 1.00 0.00 O ATOM 181 CB CYS A 302 4.821 12.190 3.709 1.00 0.00 C ATOM 182 SG CYS A 302 4.025 11.846 2.107 1.00 0.00 S ATOM 0 H CYS A 302 4.287 9.541 3.501 1.00 0.00 H new ATOM 0 HA CYS A 302 5.100 11.378 5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.524 13.183 4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.902 12.211 3.569 1.00 0.00 H new ATOM 0 HG CYS A 302 3.643 12.963 1.563 1.00 0.00 H new ATOM 187 N ARG A 303 2.313 10.189 5.275 1.00 0.00 N ATOM 188 CA ARG A 303 0.903 10.177 5.663 1.00 0.00 C ATOM 189 C ARG A 303 0.061 11.108 4.787 1.00 0.00 C ATOM 190 O ARG A 303 -0.993 11.583 5.209 1.00 0.00 O ATOM 191 CB ARG A 303 0.752 10.568 7.132 1.00 0.00 C ATOM 192 CG ARG A 303 1.363 9.561 8.093 1.00 0.00 C ATOM 193 CD ARG A 303 1.047 9.909 9.539 1.00 0.00 C ATOM 194 NE ARG A 303 1.589 8.922 10.467 1.00 0.00 N ATOM 195 CZ ARG A 303 1.481 9.017 11.789 1.00 0.00 C ATOM 196 NH1 ARG A 303 0.849 10.047 12.338 1.00 0.00 N ATOM 197 NH2 ARG A 303 2.004 8.078 12.565 1.00 0.00 N ATOM 0 H ARG A 303 2.696 9.268 5.060 1.00 0.00 H new ATOM 0 HA ARG A 303 0.536 9.161 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.219 11.540 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.307 10.682 7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 303 0.985 8.564 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.443 9.531 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.457 10.891 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -0.033 9.975 9.669 1.00 0.00 H new ATOM 0 HE ARG A 303 2.078 8.115 10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 303 0.443 10.771 11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 303 0.769 10.114 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 303 2.489 7.283 12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 303 1.922 8.150 13.579 1.00 0.00 H new ATOM 211 N ASP A 304 0.529 11.364 3.567 1.00 0.00 N ATOM 212 CA ASP A 304 -0.194 12.230 2.643 1.00 0.00 C ATOM 213 C ASP A 304 -0.884 11.403 1.564 1.00 0.00 C ATOM 214 O ASP A 304 -0.481 10.274 1.287 1.00 0.00 O ATOM 215 CB ASP A 304 0.761 13.240 1.998 1.00 0.00 C ATOM 216 CG ASP A 304 1.275 14.264 2.989 1.00 0.00 C ATOM 217 OD1 ASP A 304 0.504 15.179 3.349 1.00 0.00 O ATOM 218 OD2 ASP A 304 2.446 14.153 3.405 1.00 0.00 O ATOM 0 H ASP A 304 1.401 10.985 3.198 1.00 0.00 H new ATOM 0 HA ASP A 304 -0.953 12.773 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.605 12.708 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.248 13.752 1.184 1.00 0.00 H new ATOM 223 N GLY A 305 -1.930 11.963 0.952 1.00 0.00 N ATOM 224 CA GLY A 305 -2.654 11.247 -0.083 1.00 0.00 C ATOM 225 C GLY A 305 -2.554 11.916 -1.433 1.00 0.00 C ATOM 226 O GLY A 305 -1.565 12.584 -1.734 1.00 0.00 O ATOM 0 H GLY A 305 -2.285 12.897 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.266 10.231 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.703 11.168 0.202 1.00 0.00 H new ATOM 230 N GLY A 306 -3.587 11.739 -2.250 1.00 0.00 N ATOM 231 CA GLY A 306 -3.594 12.330 -3.580 1.00 0.00 C ATOM 232 C GLY A 306 -3.113 11.358 -4.636 1.00 0.00 C ATOM 233 O GLY A 306 -3.809 10.397 -4.968 1.00 0.00 O ATOM 0 H GLY A 306 -4.420 11.198 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.604 12.660 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.959 13.216 -3.586 1.00 0.00 H new ATOM 237 N GLU A 307 -1.923 11.607 -5.176 1.00 0.00 N ATOM 238 CA GLU A 307 -1.351 10.737 -6.198 1.00 0.00 C ATOM 239 C GLU A 307 -0.611 9.577 -5.543 1.00 0.00 C ATOM 240 O GLU A 307 0.621 9.549 -5.502 1.00 0.00 O ATOM 241 CB GLU A 307 -0.401 11.528 -7.099 1.00 0.00 C ATOM 242 CG GLU A 307 -1.058 12.720 -7.776 1.00 0.00 C ATOM 243 CD GLU A 307 -0.079 13.539 -8.595 1.00 0.00 C ATOM 244 OE1 GLU A 307 0.092 13.236 -9.793 1.00 0.00 O ATOM 245 OE2 GLU A 307 0.516 14.485 -8.034 1.00 0.00 O ATOM 0 H GLU A 307 -1.337 12.403 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.160 10.338 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.443 11.878 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.001 10.862 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -1.862 12.368 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.514 13.357 -7.018 1.00 0.00 H new ATOM 252 N LEU A 308 -1.373 8.618 -5.025 1.00 0.00 N ATOM 253 CA LEU A 308 -0.796 7.461 -4.352 1.00 0.00 C ATOM 254 C LEU A 308 -0.759 6.238 -5.260 1.00 0.00 C ATOM 255 O LEU A 308 -1.609 6.070 -6.141 1.00 0.00 O ATOM 256 CB LEU A 308 -1.589 7.130 -3.085 1.00 0.00 C ATOM 257 CG LEU A 308 -1.447 8.138 -1.948 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.335 7.741 -0.781 1.00 0.00 C ATOM 259 CD2 LEU A 308 0.004 8.244 -1.508 1.00 0.00 C ATOM 0 H LEU A 308 -2.392 8.620 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 308 0.229 7.720 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.644 7.048 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.273 6.151 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.765 9.117 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.225 8.468 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.375 7.716 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.043 6.754 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 308 0.086 8.967 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.352 7.270 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.616 8.571 -2.349 1.00 0.00 H new ATOM 271 N ILE A 309 0.237 5.391 -5.036 1.00 0.00 N ATOM 272 CA ILE A 309 0.403 4.166 -5.804 1.00 0.00 C ATOM 273 C ILE A 309 0.621 2.987 -4.859 1.00 0.00 C ATOM 274 O ILE A 309 1.640 2.909 -4.171 1.00 0.00 O ATOM 275 CB ILE A 309 1.582 4.271 -6.799 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.883 2.905 -7.426 1.00 0.00 C ATOM 277 CG2 ILE A 309 2.815 4.833 -6.105 1.00 0.00 C ATOM 278 CD1 ILE A 309 2.952 2.950 -8.496 1.00 0.00 C ATOM 0 H ILE A 309 0.949 5.533 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.507 4.008 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 309 1.299 4.955 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.195 2.216 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.966 2.503 -7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.636 4.900 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.592 5.826 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.102 4.176 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.111 1.948 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.634 3.613 -9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.882 3.322 -8.066 1.00 0.00 H new ATOM 290 N CYS A 310 -0.350 2.082 -4.813 1.00 0.00 N ATOM 291 CA CYS A 310 -0.271 0.914 -3.946 1.00 0.00 C ATOM 292 C CYS A 310 0.360 -0.268 -4.672 1.00 0.00 C ATOM 293 O CYS A 310 0.030 -0.546 -5.830 1.00 0.00 O ATOM 294 CB CYS A 310 -1.667 0.535 -3.457 1.00 0.00 C ATOM 295 SG CYS A 310 -2.805 0.064 -4.782 1.00 0.00 S ATOM 0 H CYS A 310 -1.204 2.136 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 310 0.359 1.166 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.582 -0.293 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.091 1.377 -2.910 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.126 -0.352 -5.810 1.00 0.00 H new ATOM 301 N CYS A 311 1.267 -0.959 -3.989 1.00 0.00 N ATOM 302 CA CYS A 311 1.941 -2.114 -4.574 1.00 0.00 C ATOM 303 C CYS A 311 0.949 -3.227 -4.900 1.00 0.00 C ATOM 304 O CYS A 311 -0.102 -3.344 -4.269 1.00 0.00 O ATOM 305 CB CYS A 311 3.018 -2.635 -3.629 1.00 0.00 C ATOM 306 SG CYS A 311 3.931 -4.075 -4.270 1.00 0.00 S ATOM 0 H CYS A 311 1.552 -0.741 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 311 2.408 -1.791 -5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.725 -1.832 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.555 -2.904 -2.680 1.00 0.00 H new ATOM 0 HG CYS A 311 4.192 -4.893 -3.294 1.00 0.00 H new ATOM 311 N ASP A 312 1.297 -4.036 -5.899 1.00 0.00 N ATOM 312 CA ASP A 312 0.441 -5.135 -6.335 1.00 0.00 C ATOM 313 C ASP A 312 0.040 -6.036 -5.163 1.00 0.00 C ATOM 314 O ASP A 312 -1.096 -5.982 -4.686 1.00 0.00 O ATOM 315 CB ASP A 312 1.140 -5.959 -7.421 1.00 0.00 C ATOM 316 CG ASP A 312 0.286 -7.111 -7.912 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.347 -8.200 -7.299 1.00 0.00 O ATOM 318 OD2 ASP A 312 -0.444 -6.925 -8.905 1.00 0.00 O ATOM 0 H ASP A 312 2.168 -3.950 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.469 -4.700 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.389 -5.311 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 312 2.080 -6.348 -7.029 1.00 0.00 H new ATOM 323 N GLY A 313 0.976 -6.859 -4.705 1.00 0.00 N ATOM 324 CA GLY A 313 0.692 -7.767 -3.600 1.00 0.00 C ATOM 325 C GLY A 313 0.710 -7.098 -2.237 1.00 0.00 C ATOM 326 O GLY A 313 0.346 -7.717 -1.238 1.00 0.00 O ATOM 0 H GLY A 313 1.925 -6.917 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -0.286 -8.222 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 313 1.424 -8.574 -3.608 1.00 0.00 H new ATOM 330 N CYS A 314 1.130 -5.838 -2.190 1.00 0.00 N ATOM 331 CA CYS A 314 1.192 -5.105 -0.928 1.00 0.00 C ATOM 332 C CYS A 314 0.207 -3.935 -0.921 1.00 0.00 C ATOM 333 O CYS A 314 0.402 -2.953 -1.642 1.00 0.00 O ATOM 334 CB CYS A 314 2.612 -4.601 -0.672 1.00 0.00 C ATOM 335 SG CYS A 314 3.780 -5.906 -0.162 1.00 0.00 S ATOM 0 H CYS A 314 1.431 -5.305 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 314 0.912 -5.790 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.987 -4.126 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.580 -3.833 0.101 1.00 0.00 H new ATOM 0 HG CYS A 314 4.475 -6.292 -1.190 1.00 0.00 H new ATOM 340 N PRO A 315 -0.867 -4.014 -0.109 1.00 0.00 N ATOM 341 CA PRO A 315 -1.879 -2.950 -0.024 1.00 0.00 C ATOM 342 C PRO A 315 -1.279 -1.604 0.374 1.00 0.00 C ATOM 343 O PRO A 315 -1.905 -0.558 0.183 1.00 0.00 O ATOM 344 CB PRO A 315 -2.836 -3.442 1.065 1.00 0.00 C ATOM 345 CG PRO A 315 -2.631 -4.916 1.121 1.00 0.00 C ATOM 346 CD PRO A 315 -1.183 -5.140 0.792 1.00 0.00 C ATOM 0 HA PRO A 315 -2.359 -2.778 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.614 -2.976 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.870 -3.196 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.873 -5.307 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -3.278 -5.428 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.560 -5.128 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.024 -6.102 0.306 1.00 0.00 H new ATOM 354 N ARG A 316 -0.066 -1.636 0.919 1.00 0.00 N ATOM 355 CA ARG A 316 0.614 -0.415 1.337 1.00 0.00 C ATOM 356 C ARG A 316 0.751 0.568 0.181 1.00 0.00 C ATOM 357 O ARG A 316 0.975 0.169 -0.961 1.00 0.00 O ATOM 358 CB ARG A 316 1.990 -0.746 1.917 1.00 0.00 C ATOM 359 CG ARG A 316 1.926 -1.348 3.311 1.00 0.00 C ATOM 360 CD ARG A 316 3.313 -1.669 3.853 1.00 0.00 C ATOM 361 NE ARG A 316 3.987 -2.680 3.040 1.00 0.00 N ATOM 362 CZ ARG A 316 4.695 -3.680 3.555 1.00 0.00 C ATOM 363 NH1 ARG A 316 4.823 -3.805 4.873 1.00 0.00 N ATOM 364 NH2 ARG A 316 5.274 -4.561 2.752 1.00 0.00 N ATOM 0 H ARG A 316 0.465 -2.492 1.081 1.00 0.00 H new ATOM 0 HA ARG A 316 0.007 0.058 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.499 -1.443 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.591 0.162 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.425 -0.653 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.326 -2.258 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.914 -0.760 3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.230 -2.023 4.880 1.00 0.00 H new ATOM 0 HE ARG A 316 3.910 -2.615 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.376 -3.131 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 316 5.368 -4.575 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 316 5.176 -4.471 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 316 5.818 -5.329 3.145 1.00 0.00 H new ATOM 378 N ALA A 317 0.616 1.856 0.490 1.00 0.00 N ATOM 379 CA ALA A 317 0.714 2.903 -0.519 1.00 0.00 C ATOM 380 C ALA A 317 1.943 3.774 -0.291 1.00 0.00 C ATOM 381 O ALA A 317 2.403 3.939 0.840 1.00 0.00 O ATOM 382 CB ALA A 317 -0.544 3.755 -0.513 1.00 0.00 C ATOM 0 H ALA A 317 0.438 2.198 1.434 1.00 0.00 H new ATOM 0 HA ALA A 317 0.816 2.426 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.460 4.534 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.409 3.128 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.667 4.215 0.468 1.00 0.00 H new ATOM 388 N PHE A 318 2.465 4.331 -1.382 1.00 0.00 N ATOM 389 CA PHE A 318 3.648 5.185 -1.306 1.00 0.00 C ATOM 390 C PHE A 318 3.615 6.265 -2.386 1.00 0.00 C ATOM 391 O PHE A 318 2.851 6.177 -3.341 1.00 0.00 O ATOM 392 CB PHE A 318 4.924 4.352 -1.470 1.00 0.00 C ATOM 393 CG PHE A 318 4.976 3.128 -0.600 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.403 3.212 0.711 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.596 1.895 -1.102 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.451 2.085 1.509 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.641 0.765 -0.314 1.00 0.00 C ATOM 398 CZ PHE A 318 5.069 0.861 0.998 1.00 0.00 C ATOM 0 H PHE A 318 2.091 4.208 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 318 3.647 5.662 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 318 5.014 4.047 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.786 4.980 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.702 4.167 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.260 1.817 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.787 2.162 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.343 -0.191 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.104 -0.020 1.621 1.00 0.00 H new ATOM 408 N HIS A 319 4.451 7.286 -2.215 1.00 0.00 N ATOM 409 CA HIS A 319 4.542 8.370 -3.170 1.00 0.00 C ATOM 410 C HIS A 319 5.722 8.141 -4.109 1.00 0.00 C ATOM 411 O HIS A 319 6.656 7.418 -3.768 1.00 0.00 O ATOM 412 CB HIS A 319 4.694 9.720 -2.467 1.00 0.00 C ATOM 413 CG HIS A 319 3.414 10.252 -1.906 1.00 0.00 C ATOM 414 ND1 HIS A 319 3.208 10.312 -0.544 1.00 0.00 N ATOM 415 CD2 HIS A 319 2.324 10.738 -2.534 1.00 0.00 C ATOM 416 CE1 HIS A 319 2.005 10.833 -0.389 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.429 11.107 -1.565 1.00 0.00 N ATOM 0 H HIS A 319 5.077 7.379 -1.415 1.00 0.00 H new ATOM 0 HA HIS A 319 3.616 8.389 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.420 9.620 -1.660 1.00 0.00 H new ATOM 0 HB3 HIS A 319 5.100 10.444 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.183 10.821 -3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.542 11.016 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.504 11.512 -1.711 1.00 0.00 H new ATOM 425 N LEU A 320 5.680 8.753 -5.283 1.00 0.00 N ATOM 426 CA LEU A 320 6.751 8.588 -6.257 1.00 0.00 C ATOM 427 C LEU A 320 8.105 8.994 -5.674 1.00 0.00 C ATOM 428 O LEU A 320 9.038 8.192 -5.649 1.00 0.00 O ATOM 429 CB LEU A 320 6.454 9.395 -7.517 1.00 0.00 C ATOM 430 CG LEU A 320 5.207 8.954 -8.293 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.007 9.827 -9.519 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.313 7.488 -8.697 1.00 0.00 C ATOM 0 H LEU A 320 4.921 9.365 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 320 6.803 7.531 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.339 10.443 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.316 9.334 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 320 4.342 9.068 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.118 9.500 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.883 10.865 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.877 9.744 -10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.418 7.196 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.189 7.347 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.408 6.870 -7.804 1.00 0.00 H new ATOM 444 N ALA A 321 8.212 10.238 -5.208 1.00 0.00 N ATOM 445 CA ALA A 321 9.464 10.735 -4.637 1.00 0.00 C ATOM 446 C ALA A 321 9.808 10.054 -3.317 1.00 0.00 C ATOM 447 O ALA A 321 10.975 10.008 -2.932 1.00 0.00 O ATOM 448 CB ALA A 321 9.384 12.240 -4.442 1.00 0.00 C ATOM 0 H ALA A 321 7.451 10.917 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 321 10.261 10.497 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.320 12.602 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.212 12.723 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.563 12.476 -3.765 1.00 0.00 H new ATOM 454 N CYS A 322 8.800 9.528 -2.633 1.00 0.00 N ATOM 455 CA CYS A 322 9.021 8.863 -1.358 1.00 0.00 C ATOM 456 C CYS A 322 9.685 7.506 -1.555 1.00 0.00 C ATOM 457 O CYS A 322 10.511 7.085 -0.746 1.00 0.00 O ATOM 458 CB CYS A 322 7.704 8.700 -0.599 1.00 0.00 C ATOM 459 SG CYS A 322 7.054 10.251 0.103 1.00 0.00 S ATOM 0 H CYS A 322 7.827 9.549 -2.939 1.00 0.00 H new ATOM 0 HA CYS A 322 9.690 9.489 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.958 8.278 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.848 7.981 0.207 1.00 0.00 H new ATOM 0 HG CYS A 322 5.907 10.023 0.672 1.00 0.00 H new ATOM 464 N LEU A 323 9.320 6.824 -2.631 1.00 0.00 N ATOM 465 CA LEU A 323 9.881 5.515 -2.940 1.00 0.00 C ATOM 466 C LEU A 323 11.386 5.617 -3.181 1.00 0.00 C ATOM 467 O LEU A 323 11.877 6.623 -3.688 1.00 0.00 O ATOM 468 CB LEU A 323 9.194 4.922 -4.167 1.00 0.00 C ATOM 469 CG LEU A 323 8.864 3.428 -4.097 1.00 0.00 C ATOM 470 CD1 LEU A 323 10.125 2.601 -3.907 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.873 3.155 -2.976 1.00 0.00 C ATOM 0 H LEU A 323 8.634 7.157 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 323 9.710 4.859 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 323 8.268 5.470 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.833 5.092 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 323 8.408 3.136 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 323 9.863 1.544 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 323 10.801 2.771 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 323 10.616 2.894 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 323 7.649 2.089 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.304 3.468 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 323 6.954 3.713 -3.159 1.00 0.00 H new ATOM 483 N SER A 324 12.111 4.571 -2.807 1.00 0.00 N ATOM 484 CA SER A 324 13.560 4.537 -2.976 1.00 0.00 C ATOM 485 C SER A 324 13.987 3.269 -3.721 1.00 0.00 C ATOM 486 O SER A 324 13.915 2.173 -3.172 1.00 0.00 O ATOM 487 CB SER A 324 14.255 4.601 -1.619 1.00 0.00 C ATOM 488 OG SER A 324 15.664 4.536 -1.762 1.00 0.00 O ATOM 0 H SER A 324 11.718 3.731 -2.383 1.00 0.00 H new ATOM 0 HA SER A 324 13.854 5.405 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.981 5.525 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.912 3.778 -0.992 1.00 0.00 H new ATOM 0 HG SER A 324 16.085 4.580 -0.878 1.00 0.00 H new ATOM 494 N PRO A 325 14.442 3.393 -4.992 1.00 0.00 N ATOM 495 CA PRO A 325 14.553 4.675 -5.695 1.00 0.00 C ATOM 496 C PRO A 325 13.194 5.206 -6.156 1.00 0.00 C ATOM 497 O PRO A 325 12.278 4.428 -6.424 1.00 0.00 O ATOM 498 CB PRO A 325 15.430 4.334 -6.895 1.00 0.00 C ATOM 499 CG PRO A 325 15.159 2.896 -7.160 1.00 0.00 C ATOM 500 CD PRO A 325 14.890 2.263 -5.825 1.00 0.00 C ATOM 0 HA PRO A 325 14.960 5.461 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.178 4.951 -7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.484 4.505 -6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.304 2.778 -7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.011 2.424 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.126 1.488 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.784 1.793 -5.416 1.00 0.00 H new ATOM 508 N PRO A 326 13.047 6.542 -6.248 1.00 0.00 N ATOM 509 CA PRO A 326 11.793 7.172 -6.671 1.00 0.00 C ATOM 510 C PRO A 326 11.485 6.928 -8.146 1.00 0.00 C ATOM 511 O PRO A 326 12.391 6.860 -8.978 1.00 0.00 O ATOM 512 CB PRO A 326 12.023 8.672 -6.427 1.00 0.00 C ATOM 513 CG PRO A 326 13.274 8.759 -5.610 1.00 0.00 C ATOM 514 CD PRO A 326 14.082 7.545 -5.960 1.00 0.00 C ATOM 0 HA PRO A 326 10.944 6.764 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.131 9.210 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.179 9.118 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 326 13.824 9.672 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.044 8.781 -4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 326 14.726 7.721 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.727 7.237 -5.137 1.00 0.00 H new ATOM 522 N LEU A 327 10.200 6.798 -8.460 1.00 0.00 N ATOM 523 CA LEU A 327 9.768 6.565 -9.836 1.00 0.00 C ATOM 524 C LEU A 327 9.550 7.886 -10.567 1.00 0.00 C ATOM 525 O LEU A 327 8.981 8.827 -10.011 1.00 0.00 O ATOM 526 CB LEU A 327 8.479 5.743 -9.855 1.00 0.00 C ATOM 527 CG LEU A 327 8.583 4.356 -9.220 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.223 3.674 -9.203 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.600 3.499 -9.958 1.00 0.00 C ATOM 0 H LEU A 327 9.440 6.850 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 327 10.554 6.010 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.701 6.305 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.155 5.628 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 327 8.922 4.477 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.316 2.688 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.521 4.276 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 327 6.856 3.569 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.657 2.517 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.295 3.387 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.578 3.978 -9.917 1.00 0.00 H new ATOM 541 N ARG A 328 10.011 7.943 -11.811 1.00 0.00 N ATOM 542 CA ARG A 328 9.870 9.144 -12.629 1.00 0.00 C ATOM 543 C ARG A 328 8.463 9.253 -13.202 1.00 0.00 C ATOM 544 O ARG A 328 7.894 10.340 -13.270 1.00 0.00 O ATOM 545 CB ARG A 328 10.896 9.135 -13.761 1.00 0.00 C ATOM 546 CG ARG A 328 12.336 9.053 -13.280 1.00 0.00 C ATOM 547 CD ARG A 328 13.313 9.115 -14.444 1.00 0.00 C ATOM 548 NE ARG A 328 13.069 8.059 -15.420 1.00 0.00 N ATOM 549 CZ ARG A 328 13.849 7.834 -16.476 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.925 8.582 -16.678 1.00 0.00 N ATOM 551 NH2 ARG A 328 13.556 6.858 -17.321 1.00 0.00 N ATOM 0 H ARG A 328 10.487 7.170 -12.277 1.00 0.00 H new ATOM 0 HA ARG A 328 10.048 10.010 -11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.693 8.289 -14.417 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.773 10.038 -14.358 1.00 0.00 H new ATOM 0 HG2 ARG A 328 12.538 9.872 -12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 328 12.484 8.125 -12.727 1.00 0.00 H new ATOM 0 HD2 ARG A 328 13.233 10.086 -14.933 1.00 0.00 H new ATOM 0 HD3 ARG A 328 14.332 9.031 -14.067 1.00 0.00 H new ATOM 0 HE ARG A 328 12.255 7.459 -15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 328 15.156 9.330 -16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 328 15.522 8.409 -17.487 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.732 6.277 -17.164 1.00 0.00 H new ATOM 0 HH22 ARG A 328 14.154 6.687 -18.129 1.00 0.00 H new ATOM 565 N GLU A 329 7.908 8.117 -13.618 1.00 0.00 N ATOM 566 CA GLU A 329 6.567 8.083 -14.188 1.00 0.00 C ATOM 567 C GLU A 329 5.803 6.859 -13.680 1.00 0.00 C ATOM 568 O GLU A 329 6.402 5.895 -13.210 1.00 0.00 O ATOM 569 CB GLU A 329 6.649 8.058 -15.713 1.00 0.00 C ATOM 570 CG GLU A 329 5.317 8.306 -16.403 1.00 0.00 C ATOM 571 CD GLU A 329 4.735 9.667 -16.076 1.00 0.00 C ATOM 572 OE1 GLU A 329 5.136 10.656 -16.730 1.00 0.00 O ATOM 573 OE2 GLU A 329 3.872 9.745 -15.178 1.00 0.00 O ATOM 0 H GLU A 329 8.368 7.208 -13.570 1.00 0.00 H new ATOM 0 HA GLU A 329 6.031 8.980 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.364 8.812 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 329 7.038 7.091 -16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.450 8.221 -17.482 1.00 0.00 H new ATOM 0 HG3 GLU A 329 4.609 7.532 -16.107 1.00 0.00 H new ATOM 580 N ILE A 330 4.478 6.907 -13.789 1.00 0.00 N ATOM 581 CA ILE A 330 3.634 5.801 -13.345 1.00 0.00 C ATOM 582 C ILE A 330 3.722 4.623 -14.321 1.00 0.00 C ATOM 583 O ILE A 330 3.398 4.762 -15.502 1.00 0.00 O ATOM 584 CB ILE A 330 2.163 6.240 -13.226 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.051 7.507 -12.371 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.315 5.118 -12.640 1.00 0.00 C ATOM 587 CD1 ILE A 330 2.495 7.320 -10.932 1.00 0.00 C ATOM 0 H ILE A 330 3.966 7.698 -14.180 1.00 0.00 H new ATOM 0 HA ILE A 330 3.997 5.491 -12.365 1.00 0.00 H new ATOM 0 HB ILE A 330 1.787 6.465 -14.224 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.651 8.295 -12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.016 7.849 -12.380 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.279 5.447 -12.564 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.371 4.243 -13.288 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.688 4.860 -11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.386 8.261 -10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.879 6.556 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.539 7.009 -10.911 1.00 0.00 H new ATOM 599 N PRO A 331 4.163 3.440 -13.838 1.00 0.00 N ATOM 600 CA PRO A 331 4.288 2.249 -14.681 1.00 0.00 C ATOM 601 C PRO A 331 2.944 1.584 -14.957 1.00 0.00 C ATOM 602 O PRO A 331 2.083 1.512 -14.078 1.00 0.00 O ATOM 603 CB PRO A 331 5.177 1.329 -13.848 1.00 0.00 C ATOM 604 CG PRO A 331 4.882 1.700 -12.433 1.00 0.00 C ATOM 605 CD PRO A 331 4.569 3.174 -12.445 1.00 0.00 C ATOM 0 HA PRO A 331 4.691 2.485 -15.666 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.950 0.280 -14.038 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.231 1.475 -14.085 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.040 1.126 -12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 331 5.735 1.488 -11.788 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.772 3.419 -11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.437 3.769 -12.161 1.00 0.00 H new ATOM 613 N SER A 332 2.773 1.102 -16.179 1.00 0.00 N ATOM 614 CA SER A 332 1.537 0.439 -16.581 1.00 0.00 C ATOM 615 C SER A 332 1.702 -1.079 -16.538 1.00 0.00 C ATOM 616 O SER A 332 1.873 -1.720 -17.581 1.00 0.00 O ATOM 617 CB SER A 332 1.120 0.889 -17.982 1.00 0.00 C ATOM 618 OG SER A 332 -0.078 0.251 -18.383 1.00 0.00 O ATOM 0 H SER A 332 3.478 1.157 -16.914 1.00 0.00 H new ATOM 0 HA SER A 332 0.753 0.721 -15.878 1.00 0.00 H new ATOM 0 HB2 SER A 332 0.983 1.970 -17.995 1.00 0.00 H new ATOM 0 HB3 SER A 332 1.914 0.660 -18.693 1.00 0.00 H new ATOM 0 HG SER A 332 -0.326 0.555 -19.281 1.00 0.00 H new ATOM 624 N GLY A 333 1.651 -1.644 -15.335 1.00 0.00 N ATOM 625 CA GLY A 333 1.795 -3.079 -15.188 1.00 0.00 C ATOM 626 C GLY A 333 1.843 -3.506 -13.727 1.00 0.00 C ATOM 627 O GLY A 333 1.142 -2.943 -12.888 1.00 0.00 O ATOM 0 H GLY A 333 1.513 -1.134 -14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.963 -3.579 -15.684 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.706 -3.404 -15.690 1.00 0.00 H new ATOM 631 N THR A 334 2.671 -4.504 -13.432 1.00 0.00 N ATOM 632 CA THR A 334 2.808 -5.005 -12.075 1.00 0.00 C ATOM 633 C THR A 334 4.026 -4.406 -11.386 1.00 0.00 C ATOM 634 O THR A 334 5.164 -4.789 -11.666 1.00 0.00 O ATOM 635 CB THR A 334 2.921 -6.540 -12.047 1.00 0.00 C ATOM 636 OG1 THR A 334 3.959 -6.972 -12.936 1.00 0.00 O ATOM 637 CG2 THR A 334 1.603 -7.188 -12.438 1.00 0.00 C ATOM 0 H THR A 334 3.257 -4.980 -14.118 1.00 0.00 H new ATOM 0 HA THR A 334 1.907 -4.706 -11.540 1.00 0.00 H new ATOM 0 HB THR A 334 3.167 -6.846 -11.030 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.747 -6.401 -12.820 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.709 -8.273 -12.411 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.825 -6.881 -11.739 1.00 0.00 H new ATOM 0 HG23 THR A 334 1.329 -6.875 -13.446 1.00 0.00 H new ATOM 645 N TRP A 335 3.783 -3.468 -10.475 1.00 0.00 N ATOM 646 CA TRP A 335 4.858 -2.818 -9.739 1.00 0.00 C ATOM 647 C TRP A 335 5.061 -3.499 -8.387 1.00 0.00 C ATOM 648 O TRP A 335 4.093 -3.861 -7.714 1.00 0.00 O ATOM 649 CB TRP A 335 4.542 -1.333 -9.539 1.00 0.00 C ATOM 650 CG TRP A 335 5.581 -0.604 -8.741 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.790 -0.151 -9.188 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.503 -0.241 -7.359 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.468 0.470 -8.170 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.699 0.428 -7.035 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.540 -0.417 -6.362 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.954 0.921 -5.760 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.793 0.075 -5.094 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.991 0.738 -4.808 1.00 0.00 C ATOM 0 H TRP A 335 2.848 -3.142 -10.230 1.00 0.00 H new ATOM 0 HA TRP A 335 5.778 -2.906 -10.317 1.00 0.00 H new ATOM 0 HB2 TRP A 335 4.443 -0.856 -10.514 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.578 -1.239 -9.039 1.00 0.00 H new ATOM 0 HD1 TRP A 335 7.159 -0.265 -10.197 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.393 0.894 -8.245 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.614 -0.929 -6.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.879 1.430 -5.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 4.056 -0.054 -4.315 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.159 1.115 -3.810 1.00 0.00 H new ATOM 669 N ARG A 336 6.319 -3.672 -7.993 1.00 0.00 N ATOM 670 CA ARG A 336 6.641 -4.316 -6.727 1.00 0.00 C ATOM 671 C ARG A 336 7.531 -3.418 -5.880 1.00 0.00 C ATOM 672 O ARG A 336 8.536 -2.892 -6.357 1.00 0.00 O ATOM 673 CB ARG A 336 7.338 -5.655 -6.974 1.00 0.00 C ATOM 674 CG ARG A 336 6.470 -6.668 -7.700 1.00 0.00 C ATOM 675 CD ARG A 336 7.253 -7.923 -8.048 1.00 0.00 C ATOM 676 NE ARG A 336 6.432 -8.907 -8.753 1.00 0.00 N ATOM 677 CZ ARG A 336 6.841 -10.144 -9.021 1.00 0.00 C ATOM 678 NH1 ARG A 336 8.050 -10.543 -8.648 1.00 0.00 N ATOM 679 NH2 ARG A 336 6.040 -10.980 -9.671 1.00 0.00 N ATOM 0 H ARG A 336 7.131 -3.375 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 336 5.710 -4.494 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.243 -5.482 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.649 -6.075 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.617 -6.932 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 336 6.072 -6.221 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 336 8.109 -7.655 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 336 7.647 -8.368 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 336 5.498 -8.630 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 336 8.669 -9.900 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 336 8.360 -11.492 -8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 336 5.112 -10.673 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 336 6.352 -11.929 -9.877 1.00 0.00 H new ATOM 693 N CYS A 337 7.161 -3.246 -4.622 1.00 0.00 N ATOM 694 CA CYS A 337 7.937 -2.413 -3.704 1.00 0.00 C ATOM 695 C CYS A 337 9.166 -3.160 -3.194 1.00 0.00 C ATOM 696 O CYS A 337 9.444 -4.280 -3.620 1.00 0.00 O ATOM 697 CB CYS A 337 7.070 -1.962 -2.528 1.00 0.00 C ATOM 698 SG CYS A 337 6.538 -3.317 -1.437 1.00 0.00 S ATOM 0 H CYS A 337 6.330 -3.669 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 337 8.274 -1.533 -4.252 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.626 -1.232 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.187 -1.453 -2.915 1.00 0.00 H new ATOM 0 HG CYS A 337 5.812 -2.837 -0.472 1.00 0.00 H new ATOM 703 N SER A 338 9.895 -2.530 -2.280 1.00 0.00 N ATOM 704 CA SER A 338 11.096 -3.138 -1.712 1.00 0.00 C ATOM 705 C SER A 338 10.750 -4.430 -0.984 1.00 0.00 C ATOM 706 O SER A 338 11.472 -5.422 -1.080 1.00 0.00 O ATOM 707 CB SER A 338 11.784 -2.165 -0.752 1.00 0.00 C ATOM 708 OG SER A 338 10.922 -1.807 0.316 1.00 0.00 O ATOM 0 H SER A 338 9.678 -1.602 -1.916 1.00 0.00 H new ATOM 0 HA SER A 338 11.779 -3.370 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 338 12.691 -2.621 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.089 -1.269 -1.293 1.00 0.00 H new ATOM 0 HG SER A 338 11.385 -1.186 0.916 1.00 0.00 H new ATOM 714 N SER A 339 9.641 -4.405 -0.249 1.00 0.00 N ATOM 715 CA SER A 339 9.184 -5.572 0.498 1.00 0.00 C ATOM 716 C SER A 339 9.041 -6.788 -0.416 1.00 0.00 C ATOM 717 O SER A 339 9.522 -7.876 -0.094 1.00 0.00 O ATOM 718 CB SER A 339 7.851 -5.275 1.189 1.00 0.00 C ATOM 719 OG SER A 339 7.974 -4.187 2.085 1.00 0.00 O ATOM 0 H SER A 339 9.041 -3.586 -0.155 1.00 0.00 H new ATOM 0 HA SER A 339 9.933 -5.800 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.092 -5.050 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.513 -6.159 1.730 1.00 0.00 H new ATOM 0 HG SER A 339 7.365 -3.469 1.813 1.00 0.00 H new ATOM 725 N CYS A 340 8.374 -6.599 -1.545 1.00 0.00 N ATOM 726 CA CYS A 340 8.167 -7.683 -2.506 1.00 0.00 C ATOM 727 C CYS A 340 9.496 -8.235 -3.013 1.00 0.00 C ATOM 728 O CYS A 340 9.705 -9.448 -3.031 1.00 0.00 O ATOM 729 CB CYS A 340 7.316 -7.204 -3.678 1.00 0.00 C ATOM 730 SG CYS A 340 5.598 -6.792 -3.236 1.00 0.00 S ATOM 0 H CYS A 340 7.965 -5.707 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 340 7.640 -8.486 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.787 -6.325 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.306 -7.978 -4.445 1.00 0.00 H new ATOM 0 HG CYS A 340 5.113 -5.960 -4.109 1.00 0.00 H new ATOM 735 N LEU A 341 10.389 -7.343 -3.432 1.00 0.00 N ATOM 736 CA LEU A 341 11.693 -7.753 -3.942 1.00 0.00 C ATOM 737 C LEU A 341 12.500 -8.470 -2.861 1.00 0.00 C ATOM 738 O LEU A 341 13.302 -9.354 -3.159 1.00 0.00 O ATOM 739 CB LEU A 341 12.477 -6.541 -4.454 1.00 0.00 C ATOM 740 CG LEU A 341 11.849 -5.807 -5.645 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.674 -4.582 -6.002 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.725 -6.739 -6.833 1.00 0.00 C ATOM 0 H LEU A 341 10.234 -6.335 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 341 11.526 -8.443 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.595 -5.833 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.477 -6.870 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 341 10.848 -5.476 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 341 12.217 -4.070 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.712 -3.907 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.686 -4.889 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.278 -6.204 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.714 -7.098 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.094 -7.587 -6.566 1.00 0.00 H new