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 -150:sc= -1.78 USER MOD Set 1.2: A 302 CYS SG : rot 180:sc= -1.15 USER MOD Set 1.3: A 319 HIS : no HE2:sc= -0.475 K(o=-5.4,f=-6.6) USER MOD Set 1.4: A 322 CYS SG : rot -157:sc= -2.03! USER MOD Set 2.1: A 311 CYS SG : rot 17:sc= 1.37! USER MOD Set 2.2: A 314 CYS SG : rot 63:sc= 0.86 USER MOD Set 2.3: A 337 CYS SG : rot -71:sc= 0.441 USER MOD Set 2.4: A 339 SER OG : rot -123:sc= 0.271 USER MOD Set 2.5: A 340 CYS SG : rot 129:sc= 2.17 USER MOD Single : A 295 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 310 CYS SG : rot 180:sc= 0.133 USER MOD Single : A 324 SER OG : rot 46:sc= 0.00209 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 47:sc= 0.117 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0223 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.994 -1.609 0.515 1.00 0.00 N ATOM 86 CA ASN A 295 -5.805 -0.888 0.082 1.00 0.00 C ATOM 87 C ASN A 295 -5.592 0.279 1.029 1.00 0.00 C ATOM 88 O ASN A 295 -6.562 0.870 1.511 1.00 0.00 O ATOM 89 CB ASN A 295 -5.996 -0.372 -1.349 1.00 0.00 C ATOM 90 CG ASN A 295 -4.826 0.459 -1.852 1.00 0.00 C ATOM 91 OD1 ASN A 295 -3.669 0.183 -1.541 1.00 0.00 O ATOM 92 ND2 ASN A 295 -5.128 1.498 -2.614 1.00 0.00 N ATOM 0 HA ASN A 295 -4.938 -1.549 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -6.143 -1.221 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -6.904 0.229 -1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -4.387 2.104 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.101 1.692 -2.849 1.00 0.00 H new ATOM 99 N GLU A 296 -4.344 0.599 1.340 1.00 0.00 N ATOM 100 CA GLU A 296 -4.068 1.702 2.240 1.00 0.00 C ATOM 101 C GLU A 296 -4.143 3.022 1.493 1.00 0.00 C ATOM 102 O GLU A 296 -3.508 3.200 0.453 1.00 0.00 O ATOM 103 CB GLU A 296 -2.697 1.524 2.897 1.00 0.00 C ATOM 104 CG GLU A 296 -2.623 0.312 3.813 1.00 0.00 C ATOM 105 CD GLU A 296 -1.238 0.089 4.385 1.00 0.00 C ATOM 106 OE1 GLU A 296 -0.771 0.933 5.181 1.00 0.00 O ATOM 107 OE2 GLU A 296 -0.616 -0.952 4.068 1.00 0.00 O ATOM 0 H GLU A 296 -3.518 0.116 0.986 1.00 0.00 H new ATOM 0 HA GLU A 296 -4.823 1.711 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.939 1.430 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.457 2.420 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.333 0.437 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -2.929 -0.575 3.259 1.00 0.00 H new ATOM 114 N ASP A 297 -4.929 3.947 2.022 1.00 0.00 N ATOM 115 CA ASP A 297 -5.108 5.256 1.402 1.00 0.00 C ATOM 116 C ASP A 297 -4.034 6.238 1.836 1.00 0.00 C ATOM 117 O ASP A 297 -4.290 7.439 1.958 1.00 0.00 O ATOM 118 CB ASP A 297 -6.487 5.829 1.737 1.00 0.00 C ATOM 119 CG ASP A 297 -7.627 5.091 1.056 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.973 5.442 -0.097 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.202 4.174 1.680 1.00 0.00 O ATOM 0 H ASP A 297 -5.457 3.816 2.885 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.026 5.112 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.635 5.794 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.517 6.879 1.445 1.00 0.00 H new ATOM 126 N GLU A 298 -2.836 5.740 2.088 1.00 0.00 N ATOM 127 CA GLU A 298 -1.745 6.588 2.524 1.00 0.00 C ATOM 128 C GLU A 298 -0.407 6.030 2.062 1.00 0.00 C ATOM 129 O GLU A 298 -0.191 4.818 2.045 1.00 0.00 O ATOM 130 CB GLU A 298 -1.753 6.737 4.048 1.00 0.00 C ATOM 131 CG GLU A 298 -1.707 5.414 4.792 1.00 0.00 C ATOM 132 CD GLU A 298 -1.639 5.598 6.291 1.00 0.00 C ATOM 133 OE1 GLU A 298 -2.590 6.169 6.865 1.00 0.00 O ATOM 134 OE2 GLU A 298 -0.634 5.184 6.897 1.00 0.00 O ATOM 0 H GLU A 298 -2.596 4.753 1.998 1.00 0.00 H new ATOM 0 HA GLU A 298 -1.884 7.571 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -0.898 7.343 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -2.650 7.280 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -2.591 4.828 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.840 4.843 4.459 1.00 0.00 H new ATOM 141 N CYS A 299 0.474 6.927 1.666 1.00 0.00 N ATOM 142 CA CYS A 299 1.829 6.560 1.308 1.00 0.00 C ATOM 143 C CYS A 299 2.619 6.201 2.553 1.00 0.00 C ATOM 144 O CYS A 299 2.807 7.045 3.429 1.00 0.00 O ATOM 145 CB CYS A 299 2.517 7.709 0.564 1.00 0.00 C ATOM 146 SG CYS A 299 4.278 7.403 0.201 1.00 0.00 S ATOM 0 H CYS A 299 0.273 7.924 1.584 1.00 0.00 H new ATOM 0 HA CYS A 299 1.790 5.692 0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.989 7.891 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 299 2.431 8.618 1.160 1.00 0.00 H new ATOM 0 HG CYS A 299 4.919 8.534 0.178 1.00 0.00 H new ATOM 151 N ALA A 300 3.053 4.941 2.640 1.00 0.00 N ATOM 152 CA ALA A 300 3.864 4.439 3.759 1.00 0.00 C ATOM 153 C ALA A 300 5.250 5.105 3.843 1.00 0.00 C ATOM 154 O ALA A 300 6.252 4.460 4.147 1.00 0.00 O ATOM 155 CB ALA A 300 4.011 2.927 3.655 1.00 0.00 C ATOM 0 H ALA A 300 2.852 4.234 1.933 1.00 0.00 H new ATOM 0 HA ALA A 300 3.337 4.699 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.613 2.562 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 300 3.026 2.462 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.500 2.673 2.715 1.00 0.00 H new ATOM 161 N VAL A 301 5.280 6.394 3.563 1.00 0.00 N ATOM 162 CA VAL A 301 6.477 7.205 3.676 1.00 0.00 C ATOM 163 C VAL A 301 6.140 8.531 4.355 1.00 0.00 C ATOM 164 O VAL A 301 6.803 8.948 5.300 1.00 0.00 O ATOM 165 CB VAL A 301 7.132 7.484 2.302 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.363 8.368 2.457 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.504 6.183 1.599 1.00 0.00 C ATOM 0 H VAL A 301 4.462 6.914 3.246 1.00 0.00 H new ATOM 0 HA VAL A 301 7.193 6.643 4.275 1.00 0.00 H new ATOM 0 HB VAL A 301 6.401 8.011 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.806 8.550 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 301 8.074 9.318 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 301 9.091 7.869 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.962 6.408 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 301 8.209 5.625 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.607 5.584 1.443 1.00 0.00 H new ATOM 177 N CYS A 302 5.096 9.191 3.865 1.00 0.00 N ATOM 178 CA CYS A 302 4.713 10.496 4.388 1.00 0.00 C ATOM 179 C CYS A 302 3.341 10.478 5.067 1.00 0.00 C ATOM 180 O CYS A 302 2.908 11.500 5.592 1.00 0.00 O ATOM 181 CB CYS A 302 4.719 11.523 3.260 1.00 0.00 C ATOM 182 SG CYS A 302 3.689 11.040 1.834 1.00 0.00 S ATOM 0 H CYS A 302 4.503 8.845 3.110 1.00 0.00 H new ATOM 0 HA CYS A 302 5.444 10.768 5.149 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.365 12.479 3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.744 11.675 2.923 1.00 0.00 H new ATOM 0 HG CYS A 302 3.747 11.966 0.923 1.00 0.00 H new ATOM 187 N ARG A 303 2.656 9.324 5.044 1.00 0.00 N ATOM 188 CA ARG A 303 1.322 9.182 5.656 1.00 0.00 C ATOM 189 C ARG A 303 0.264 10.007 4.893 1.00 0.00 C ATOM 190 O ARG A 303 -0.902 10.072 5.290 1.00 0.00 O ATOM 191 CB ARG A 303 1.383 9.567 7.144 1.00 0.00 C ATOM 192 CG ARG A 303 0.064 9.451 7.891 1.00 0.00 C ATOM 193 CD ARG A 303 0.267 9.536 9.400 1.00 0.00 C ATOM 194 NE ARG A 303 1.120 10.664 9.801 1.00 0.00 N ATOM 195 CZ ARG A 303 0.924 11.392 10.901 1.00 0.00 C ATOM 196 NH1 ARG A 303 -0.148 11.185 11.654 1.00 0.00 N ATOM 197 NH2 ARG A 303 1.786 12.345 11.235 1.00 0.00 N ATOM 0 H ARG A 303 3.005 8.471 4.606 1.00 0.00 H new ATOM 0 HA ARG A 303 1.015 8.138 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 303 2.120 8.934 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 303 1.740 10.594 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -0.609 10.245 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -0.416 8.505 7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -0.704 9.630 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.713 8.606 9.754 1.00 0.00 H new ATOM 0 HE ARG A 303 1.910 10.904 9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -0.824 10.468 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -0.296 11.743 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 303 2.602 12.523 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 303 1.632 12.899 12.077 1.00 0.00 H new ATOM 211 N ASP A 304 0.669 10.604 3.785 1.00 0.00 N ATOM 212 CA ASP A 304 -0.237 11.417 2.982 1.00 0.00 C ATOM 213 C ASP A 304 -0.874 10.589 1.874 1.00 0.00 C ATOM 214 O ASP A 304 -0.372 9.522 1.517 1.00 0.00 O ATOM 215 CB ASP A 304 0.499 12.609 2.361 1.00 0.00 C ATOM 216 CG ASP A 304 0.889 13.666 3.377 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.012 14.323 3.936 1.00 0.00 O ATOM 218 OD2 ASP A 304 2.099 13.863 3.598 1.00 0.00 O ATOM 0 H ASP A 304 1.619 10.543 3.418 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.018 11.786 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.396 12.251 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.135 13.063 1.600 1.00 0.00 H new ATOM 223 N GLY A 305 -1.975 11.094 1.338 1.00 0.00 N ATOM 224 CA GLY A 305 -2.647 10.431 0.235 1.00 0.00 C ATOM 225 C GLY A 305 -2.677 11.309 -0.994 1.00 0.00 C ATOM 226 O GLY A 305 -1.846 12.208 -1.133 1.00 0.00 O ATOM 0 H GLY A 305 -2.419 11.958 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.137 9.496 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.665 10.175 0.527 1.00 0.00 H new ATOM 230 N GLY A 306 -3.637 11.079 -1.873 1.00 0.00 N ATOM 231 CA GLY A 306 -3.710 11.851 -3.099 1.00 0.00 C ATOM 232 C GLY A 306 -3.378 11.023 -4.324 1.00 0.00 C ATOM 233 O GLY A 306 -4.073 10.054 -4.632 1.00 0.00 O ATOM 0 H GLY A 306 -4.366 10.374 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.713 12.266 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -3.022 12.694 -3.036 1.00 0.00 H new ATOM 237 N GLU A 307 -2.313 11.404 -5.021 1.00 0.00 N ATOM 238 CA GLU A 307 -1.884 10.697 -6.223 1.00 0.00 C ATOM 239 C GLU A 307 -1.042 9.478 -5.839 1.00 0.00 C ATOM 240 O GLU A 307 0.183 9.473 -5.985 1.00 0.00 O ATOM 241 CB GLU A 307 -1.086 11.635 -7.128 1.00 0.00 C ATOM 242 CG GLU A 307 -0.883 11.090 -8.533 1.00 0.00 C ATOM 243 CD GLU A 307 -2.188 10.918 -9.280 1.00 0.00 C ATOM 244 OE1 GLU A 307 -2.813 9.844 -9.169 1.00 0.00 O ATOM 245 OE2 GLU A 307 -2.596 11.857 -9.998 1.00 0.00 O ATOM 0 H GLU A 307 -1.728 12.202 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.764 10.356 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 307 -1.601 12.594 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -0.113 11.824 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -0.234 11.765 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -0.371 10.130 -8.477 1.00 0.00 H new ATOM 252 N LEU A 308 -1.709 8.454 -5.340 1.00 0.00 N ATOM 253 CA LEU A 308 -1.026 7.274 -4.841 1.00 0.00 C ATOM 254 C LEU A 308 -0.961 6.167 -5.877 1.00 0.00 C ATOM 255 O LEU A 308 -1.842 6.041 -6.733 1.00 0.00 O ATOM 256 CB LEU A 308 -1.726 6.746 -3.585 1.00 0.00 C ATOM 257 CG LEU A 308 -1.572 7.621 -2.354 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.454 7.109 -1.229 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.117 7.655 -1.919 1.00 0.00 C ATOM 0 H LEU A 308 -2.726 8.415 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 308 -0.006 7.575 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.788 6.630 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.336 5.754 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.886 8.635 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.333 7.746 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.496 7.125 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.167 6.088 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.016 8.285 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.216 6.644 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.494 8.060 -2.725 1.00 0.00 H new ATOM 271 N ILE A 309 0.084 5.368 -5.778 1.00 0.00 N ATOM 272 CA ILE A 309 0.224 4.166 -6.577 1.00 0.00 C ATOM 273 C ILE A 309 0.270 2.964 -5.639 1.00 0.00 C ATOM 274 O ILE A 309 1.078 2.929 -4.716 1.00 0.00 O ATOM 275 CB ILE A 309 1.489 4.199 -7.486 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.656 2.864 -8.223 1.00 0.00 C ATOM 277 CG2 ILE A 309 2.738 4.524 -6.675 1.00 0.00 C ATOM 278 CD1 ILE A 309 2.871 2.815 -9.127 1.00 0.00 C ATOM 0 H ILE A 309 0.862 5.535 -5.140 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.633 4.095 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 309 1.354 4.988 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 309 1.727 2.061 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.763 2.674 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.606 4.541 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.622 5.500 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 309 2.881 3.764 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 309 2.923 1.841 -9.614 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.793 3.596 -9.884 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.772 2.973 -8.534 1.00 0.00 H new ATOM 290 N CYS A 310 -0.629 2.018 -5.840 1.00 0.00 N ATOM 291 CA CYS A 310 -0.713 0.849 -4.982 1.00 0.00 C ATOM 292 C CYS A 310 0.183 -0.263 -5.503 1.00 0.00 C ATOM 293 O CYS A 310 0.490 -0.325 -6.695 1.00 0.00 O ATOM 294 CB CYS A 310 -2.163 0.372 -4.920 1.00 0.00 C ATOM 295 SG CYS A 310 -2.962 0.271 -6.539 1.00 0.00 S ATOM 0 H CYS A 310 -1.315 2.036 -6.594 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.375 1.117 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.194 -0.610 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.733 1.050 -4.285 1.00 0.00 H new ATOM 0 HG CYS A 310 -4.186 -0.143 -6.394 1.00 0.00 H new ATOM 301 N CYS A 311 0.604 -1.133 -4.612 1.00 0.00 N ATOM 302 CA CYS A 311 1.462 -2.238 -4.984 1.00 0.00 C ATOM 303 C CYS A 311 0.604 -3.448 -5.328 1.00 0.00 C ATOM 304 O CYS A 311 -0.403 -3.717 -4.673 1.00 0.00 O ATOM 305 CB CYS A 311 2.430 -2.559 -3.856 1.00 0.00 C ATOM 306 SG CYS A 311 3.512 -3.990 -4.171 1.00 0.00 S ATOM 0 H CYS A 311 0.366 -1.097 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 311 2.051 -1.963 -5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.052 -1.684 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.859 -2.745 -2.946 1.00 0.00 H new ATOM 0 HG CYS A 311 3.517 -4.259 -5.443 1.00 0.00 H new ATOM 311 N ASP A 312 0.998 -4.171 -6.364 1.00 0.00 N ATOM 312 CA ASP A 312 0.211 -5.299 -6.853 1.00 0.00 C ATOM 313 C ASP A 312 0.433 -6.542 -6.004 1.00 0.00 C ATOM 314 O ASP A 312 -0.232 -7.560 -6.190 1.00 0.00 O ATOM 315 CB ASP A 312 0.541 -5.592 -8.318 1.00 0.00 C ATOM 316 CG ASP A 312 0.033 -4.510 -9.251 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.773 -3.537 -9.500 1.00 0.00 O ATOM 318 OD2 ASP A 312 -1.114 -4.624 -9.727 1.00 0.00 O ATOM 0 H ASP A 312 1.858 -3.999 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.841 -5.024 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.621 -5.689 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 312 0.103 -6.549 -8.602 1.00 0.00 H new ATOM 323 N GLY A 313 1.373 -6.459 -5.075 1.00 0.00 N ATOM 324 CA GLY A 313 1.610 -7.554 -4.164 1.00 0.00 C ATOM 325 C GLY A 313 1.273 -7.192 -2.731 1.00 0.00 C ATOM 326 O GLY A 313 0.800 -8.029 -1.964 1.00 0.00 O ATOM 0 H GLY A 313 1.977 -5.649 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.013 -8.414 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.656 -7.854 -4.224 1.00 0.00 H new ATOM 330 N CYS A 314 1.516 -5.936 -2.374 1.00 0.00 N ATOM 331 CA CYS A 314 1.254 -5.451 -1.027 1.00 0.00 C ATOM 332 C CYS A 314 0.212 -4.336 -1.068 1.00 0.00 C ATOM 333 O CYS A 314 0.270 -3.476 -1.936 1.00 0.00 O ATOM 334 CB CYS A 314 2.547 -4.951 -0.370 1.00 0.00 C ATOM 335 SG CYS A 314 3.821 -6.237 -0.160 1.00 0.00 S ATOM 0 H CYS A 314 1.897 -5.231 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 314 0.866 -6.276 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.959 -4.142 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.307 -4.530 0.606 1.00 0.00 H new ATOM 0 HG CYS A 314 4.191 -6.676 -1.326 1.00 0.00 H new ATOM 340 N PRO A 315 -0.740 -4.318 -0.126 1.00 0.00 N ATOM 341 CA PRO A 315 -1.813 -3.310 -0.089 1.00 0.00 C ATOM 342 C PRO A 315 -1.326 -1.917 0.328 1.00 0.00 C ATOM 343 O PRO A 315 -2.126 -1.030 0.627 1.00 0.00 O ATOM 344 CB PRO A 315 -2.794 -3.862 0.963 1.00 0.00 C ATOM 345 CG PRO A 315 -2.348 -5.258 1.244 1.00 0.00 C ATOM 346 CD PRO A 315 -0.874 -5.283 0.975 1.00 0.00 C ATOM 0 HA PRO A 315 -2.249 -3.167 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.777 -3.256 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.818 -3.847 0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.561 -5.535 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.873 -5.971 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.296 -4.985 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.530 -6.277 0.689 1.00 0.00 H new ATOM 354 N ARG A 316 -0.012 -1.748 0.382 1.00 0.00 N ATOM 355 CA ARG A 316 0.587 -0.455 0.686 1.00 0.00 C ATOM 356 C ARG A 316 0.545 0.469 -0.532 1.00 0.00 C ATOM 357 O ARG A 316 0.769 0.034 -1.671 1.00 0.00 O ATOM 358 CB ARG A 316 2.035 -0.608 1.157 1.00 0.00 C ATOM 359 CG ARG A 316 2.175 -1.199 2.547 1.00 0.00 C ATOM 360 CD ARG A 316 3.608 -1.105 3.040 1.00 0.00 C ATOM 361 NE ARG A 316 3.753 -1.598 4.411 1.00 0.00 N ATOM 362 CZ ARG A 316 4.752 -1.256 5.225 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.674 -0.390 4.830 1.00 0.00 N ATOM 364 NH2 ARG A 316 4.823 -1.781 6.437 1.00 0.00 N ATOM 0 H ARG A 316 0.663 -2.495 0.218 1.00 0.00 H new ATOM 0 HA ARG A 316 0.001 -0.012 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.571 -1.240 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.517 0.370 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.515 -0.674 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.859 -2.242 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 316 4.257 -1.679 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.940 -0.068 2.991 1.00 0.00 H new ATOM 0 HE ARG A 316 3.046 -2.243 4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 316 5.622 0.020 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 316 6.435 -0.133 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 316 4.114 -2.446 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 316 5.586 -1.521 7.062 1.00 0.00 H new ATOM 378 N ALA A 317 0.258 1.737 -0.277 1.00 0.00 N ATOM 379 CA ALA A 317 0.287 2.759 -1.314 1.00 0.00 C ATOM 380 C ALA A 317 1.510 3.647 -1.130 1.00 0.00 C ATOM 381 O ALA A 317 2.017 3.796 -0.014 1.00 0.00 O ATOM 382 CB ALA A 317 -0.983 3.588 -1.276 1.00 0.00 C ATOM 0 H ALA A 317 0.000 2.085 0.647 1.00 0.00 H new ATOM 0 HA ALA A 317 0.348 2.273 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.945 4.347 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.845 2.941 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.072 4.072 -0.304 1.00 0.00 H new ATOM 388 N PHE A 318 1.989 4.217 -2.216 1.00 0.00 N ATOM 389 CA PHE A 318 3.182 5.051 -2.181 1.00 0.00 C ATOM 390 C PHE A 318 3.061 6.222 -3.142 1.00 0.00 C ATOM 391 O PHE A 318 2.205 6.228 -4.030 1.00 0.00 O ATOM 392 CB PHE A 318 4.422 4.227 -2.548 1.00 0.00 C ATOM 393 CG PHE A 318 4.779 3.171 -1.530 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.490 3.504 -0.390 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.406 1.849 -1.725 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.819 2.538 0.544 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.732 0.881 -0.794 1.00 0.00 C ATOM 398 CZ PHE A 318 5.440 1.226 0.342 1.00 0.00 C ATOM 0 H PHE A 318 1.571 4.120 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 318 3.284 5.436 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.254 3.746 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.270 4.900 -2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.791 4.528 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 318 3.856 1.574 -2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.372 2.810 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.434 -0.145 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.696 0.471 1.070 1.00 0.00 H new ATOM 408 N HIS A 319 3.914 7.220 -2.942 1.00 0.00 N ATOM 409 CA HIS A 319 4.036 8.334 -3.864 1.00 0.00 C ATOM 410 C HIS A 319 5.313 8.184 -4.671 1.00 0.00 C ATOM 411 O HIS A 319 6.305 7.636 -4.172 1.00 0.00 O ATOM 412 CB HIS A 319 4.061 9.677 -3.125 1.00 0.00 C ATOM 413 CG HIS A 319 2.719 10.156 -2.665 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.477 10.436 -1.347 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.607 10.433 -3.381 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.234 10.873 -1.284 1.00 0.00 C ATOM 417 NE2 HIS A 319 0.664 10.893 -2.497 1.00 0.00 N ATOM 0 H HIS A 319 4.538 7.276 -2.137 1.00 0.00 H new ATOM 0 HA HIS A 319 3.167 8.323 -4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.718 9.589 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.497 10.431 -3.781 1.00 0.00 H new ATOM 0 HD1 HIS A 319 3.128 10.328 -0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.484 10.315 -4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 319 0.739 11.176 -0.373 1.00 0.00 H new ATOM 425 N LEU A 320 5.294 8.684 -5.896 1.00 0.00 N ATOM 426 CA LEU A 320 6.394 8.479 -6.838 1.00 0.00 C ATOM 427 C LEU A 320 7.742 8.890 -6.243 1.00 0.00 C ATOM 428 O LEU A 320 8.646 8.062 -6.113 1.00 0.00 O ATOM 429 CB LEU A 320 6.140 9.269 -8.129 1.00 0.00 C ATOM 430 CG LEU A 320 4.878 8.876 -8.892 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.719 9.748 -10.132 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.918 7.404 -9.282 1.00 0.00 C ATOM 0 H LEU A 320 4.524 9.240 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 320 6.436 7.413 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.081 10.329 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.999 9.143 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 320 4.019 9.033 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.815 9.458 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.644 10.794 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.584 9.617 -10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.008 7.147 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.784 7.219 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 320 4.990 6.791 -8.383 1.00 0.00 H new ATOM 444 N ALA A 321 7.860 10.151 -5.839 1.00 0.00 N ATOM 445 CA ALA A 321 9.130 10.675 -5.355 1.00 0.00 C ATOM 446 C ALA A 321 9.403 10.260 -3.915 1.00 0.00 C ATOM 447 O ALA A 321 10.538 10.331 -3.444 1.00 0.00 O ATOM 448 CB ALA A 321 9.152 12.191 -5.472 1.00 0.00 C ATOM 0 H ALA A 321 7.095 10.825 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 321 9.918 10.251 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.106 12.570 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.023 12.477 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.342 12.614 -4.877 1.00 0.00 H new ATOM 454 N CYS A 322 8.367 9.828 -3.213 1.00 0.00 N ATOM 455 CA CYS A 322 8.515 9.412 -1.834 1.00 0.00 C ATOM 456 C CYS A 322 9.220 8.063 -1.745 1.00 0.00 C ATOM 457 O CYS A 322 9.789 7.715 -0.709 1.00 0.00 O ATOM 458 CB CYS A 322 7.157 9.354 -1.135 1.00 0.00 C ATOM 459 SG CYS A 322 6.337 10.974 -0.994 1.00 0.00 S ATOM 0 H CYS A 322 7.417 9.758 -3.578 1.00 0.00 H new ATOM 0 HA CYS A 322 9.131 10.153 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.505 8.673 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.289 8.935 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 322 5.476 10.941 -0.020 1.00 0.00 H new ATOM 464 N LEU A 323 9.176 7.309 -2.835 1.00 0.00 N ATOM 465 CA LEU A 323 9.898 6.042 -2.933 1.00 0.00 C ATOM 466 C LEU A 323 11.406 6.255 -2.869 1.00 0.00 C ATOM 467 O LEU A 323 11.898 7.354 -3.120 1.00 0.00 O ATOM 468 CB LEU A 323 9.548 5.336 -4.238 1.00 0.00 C ATOM 469 CG LEU A 323 8.102 4.861 -4.348 1.00 0.00 C ATOM 470 CD1 LEU A 323 7.809 4.364 -5.755 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.836 3.766 -3.335 1.00 0.00 C ATOM 0 H LEU A 323 8.645 7.553 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 323 9.597 5.426 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.756 6.013 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.207 4.476 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 323 7.442 5.702 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 323 6.773 4.029 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 323 7.970 5.173 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 323 8.473 3.533 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.801 3.434 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.504 2.926 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 323 8.011 4.150 -2.330 1.00 0.00 H new ATOM 483 N SER A 324 12.133 5.208 -2.504 1.00 0.00 N ATOM 484 CA SER A 324 13.585 5.229 -2.536 1.00 0.00 C ATOM 485 C SER A 324 14.116 3.947 -3.177 1.00 0.00 C ATOM 486 O SER A 324 13.925 2.855 -2.639 1.00 0.00 O ATOM 487 CB SER A 324 14.131 5.392 -1.115 1.00 0.00 C ATOM 488 OG SER A 324 13.376 4.630 -0.180 1.00 0.00 O ATOM 0 H SER A 324 11.734 4.327 -2.180 1.00 0.00 H new ATOM 0 HA SER A 324 13.920 6.074 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 324 15.174 5.077 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 324 14.108 6.445 -0.833 1.00 0.00 H new ATOM 0 HG SER A 324 13.228 3.729 -0.536 1.00 0.00 H new ATOM 494 N PRO A 325 14.766 4.044 -4.359 1.00 0.00 N ATOM 495 CA PRO A 325 15.003 5.313 -5.062 1.00 0.00 C ATOM 496 C PRO A 325 13.712 5.930 -5.607 1.00 0.00 C ATOM 497 O PRO A 325 12.782 5.218 -5.985 1.00 0.00 O ATOM 498 CB PRO A 325 15.921 4.906 -6.223 1.00 0.00 C ATOM 499 CG PRO A 325 15.643 3.462 -6.438 1.00 0.00 C ATOM 500 CD PRO A 325 15.333 2.897 -5.088 1.00 0.00 C ATOM 0 HA PRO A 325 15.427 6.069 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.707 5.488 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.969 5.075 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.805 3.323 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.503 2.961 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.624 2.071 -5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 325 16.228 2.512 -4.598 1.00 0.00 H new ATOM 508 N PRO A 326 13.651 7.272 -5.644 1.00 0.00 N ATOM 509 CA PRO A 326 12.459 8.007 -6.086 1.00 0.00 C ATOM 510 C PRO A 326 12.073 7.707 -7.530 1.00 0.00 C ATOM 511 O PRO A 326 12.917 7.708 -8.433 1.00 0.00 O ATOM 512 CB PRO A 326 12.859 9.479 -5.940 1.00 0.00 C ATOM 513 CG PRO A 326 14.029 9.483 -5.026 1.00 0.00 C ATOM 514 CD PRO A 326 14.739 8.182 -5.249 1.00 0.00 C ATOM 0 HA PRO A 326 11.585 7.726 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 326 13.114 9.914 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.039 10.070 -5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.686 10.326 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.711 9.580 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.498 8.265 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 326 15.244 7.838 -4.346 1.00 0.00 H new ATOM 522 N LEU A 327 10.792 7.452 -7.733 1.00 0.00 N ATOM 523 CA LEU A 327 10.247 7.160 -9.049 1.00 0.00 C ATOM 524 C LEU A 327 9.732 8.449 -9.681 1.00 0.00 C ATOM 525 O LEU A 327 9.204 9.321 -8.992 1.00 0.00 O ATOM 526 CB LEU A 327 9.117 6.134 -8.894 1.00 0.00 C ATOM 527 CG LEU A 327 8.513 5.603 -10.194 1.00 0.00 C ATOM 528 CD1 LEU A 327 9.576 4.916 -11.039 1.00 0.00 C ATOM 529 CD2 LEU A 327 7.374 4.643 -9.892 1.00 0.00 C ATOM 0 H LEU A 327 10.097 7.441 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 327 11.016 6.745 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 327 9.497 5.288 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.320 6.587 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 327 8.118 6.447 -10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 327 9.125 4.545 -11.960 1.00 0.00 H new ATOM 0 HD12 LEU A 327 10.364 5.629 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 327 10.001 4.081 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 327 6.953 4.272 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.751 3.805 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.601 5.163 -9.326 1.00 0.00 H new ATOM 541 N ARG A 328 9.899 8.582 -10.994 1.00 0.00 N ATOM 542 CA ARG A 328 9.520 9.812 -11.673 1.00 0.00 C ATOM 543 C ARG A 328 8.228 9.647 -12.465 1.00 0.00 C ATOM 544 O ARG A 328 7.415 10.572 -12.531 1.00 0.00 O ATOM 545 CB ARG A 328 10.640 10.284 -12.600 1.00 0.00 C ATOM 546 CG ARG A 328 10.341 11.620 -13.278 1.00 0.00 C ATOM 547 CD ARG A 328 11.440 12.030 -14.240 1.00 0.00 C ATOM 548 NE ARG A 328 11.626 11.057 -15.312 1.00 0.00 N ATOM 549 CZ ARG A 328 11.525 11.339 -16.607 1.00 0.00 C ATOM 550 NH1 ARG A 328 11.166 12.553 -17.005 1.00 0.00 N ATOM 551 NH2 ARG A 328 11.762 10.398 -17.505 1.00 0.00 N ATOM 0 H ARG A 328 10.290 7.861 -11.601 1.00 0.00 H new ATOM 0 HA ARG A 328 9.350 10.565 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.563 10.374 -12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.812 9.527 -13.365 1.00 0.00 H new ATOM 0 HG2 ARG A 328 9.396 11.549 -13.817 1.00 0.00 H new ATOM 0 HG3 ARG A 328 10.218 12.392 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 328 11.199 13.002 -14.671 1.00 0.00 H new ATOM 0 HD3 ARG A 328 12.375 12.147 -13.692 1.00 0.00 H new ATOM 0 HE ARG A 328 11.848 10.097 -15.050 1.00 0.00 H new ATOM 0 HH11 ARG A 328 10.965 13.277 -16.315 1.00 0.00 H new ATOM 0 HH12 ARG A 328 11.091 12.762 -18.001 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.021 9.459 -17.203 1.00 0.00 H new ATOM 0 HH22 ARG A 328 11.685 10.611 -18.500 1.00 0.00 H new ATOM 565 N GLU A 329 8.025 8.476 -13.061 1.00 0.00 N ATOM 566 CA GLU A 329 6.881 8.247 -13.935 1.00 0.00 C ATOM 567 C GLU A 329 6.118 7.006 -13.494 1.00 0.00 C ATOM 568 O GLU A 329 6.702 6.055 -12.982 1.00 0.00 O ATOM 569 CB GLU A 329 7.346 8.086 -15.385 1.00 0.00 C ATOM 570 CG GLU A 329 7.732 9.394 -16.050 1.00 0.00 C ATOM 571 CD GLU A 329 6.532 10.213 -16.485 1.00 0.00 C ATOM 572 OE1 GLU A 329 5.805 10.729 -15.607 1.00 0.00 O ATOM 573 OE2 GLU A 329 6.303 10.336 -17.704 1.00 0.00 O ATOM 0 H GLU A 329 8.640 7.669 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 329 6.218 9.109 -13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 329 8.200 7.410 -15.410 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.550 7.616 -15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.336 9.982 -15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.356 9.184 -16.919 1.00 0.00 H new ATOM 580 N ILE A 330 4.816 7.032 -13.713 1.00 0.00 N ATOM 581 CA ILE A 330 3.938 5.934 -13.321 1.00 0.00 C ATOM 582 C ILE A 330 4.059 4.765 -14.293 1.00 0.00 C ATOM 583 O ILE A 330 3.778 4.903 -15.485 1.00 0.00 O ATOM 584 CB ILE A 330 2.463 6.391 -13.245 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.320 7.574 -12.282 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.567 5.239 -12.814 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.912 8.124 -12.184 1.00 0.00 C ATOM 0 H ILE A 330 4.335 7.809 -14.165 1.00 0.00 H new ATOM 0 HA ILE A 330 4.254 5.608 -12.330 1.00 0.00 H new ATOM 0 HB ILE A 330 2.150 6.714 -14.238 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.647 7.263 -11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.989 8.373 -12.602 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.533 5.580 -12.766 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.648 4.426 -13.535 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.878 4.884 -11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.895 8.958 -11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.587 8.468 -13.166 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.239 7.341 -11.833 1.00 0.00 H new ATOM 599 N PRO A 331 4.492 3.601 -13.788 1.00 0.00 N ATOM 600 CA PRO A 331 4.669 2.404 -14.606 1.00 0.00 C ATOM 601 C PRO A 331 3.379 1.600 -14.758 1.00 0.00 C ATOM 602 O PRO A 331 2.492 1.650 -13.911 1.00 0.00 O ATOM 603 CB PRO A 331 5.701 1.611 -13.811 1.00 0.00 C ATOM 604 CG PRO A 331 5.463 1.982 -12.380 1.00 0.00 C ATOM 605 CD PRO A 331 4.852 3.360 -12.376 1.00 0.00 C ATOM 0 HA PRO A 331 4.969 2.640 -15.627 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.578 0.539 -13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.715 1.864 -14.120 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.797 1.264 -11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.398 1.973 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.976 3.405 -11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.557 4.107 -12.012 1.00 0.00 H new ATOM 613 N SER A 332 3.284 0.868 -15.852 1.00 0.00 N ATOM 614 CA SER A 332 2.137 0.014 -16.107 1.00 0.00 C ATOM 615 C SER A 332 2.538 -1.450 -15.936 1.00 0.00 C ATOM 616 O SER A 332 3.660 -1.837 -16.275 1.00 0.00 O ATOM 617 CB SER A 332 1.583 0.265 -17.511 1.00 0.00 C ATOM 618 OG SER A 332 0.399 -0.480 -17.743 1.00 0.00 O ATOM 0 H SER A 332 3.993 0.847 -16.585 1.00 0.00 H new ATOM 0 HA SER A 332 1.351 0.249 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.376 1.328 -17.637 1.00 0.00 H new ATOM 0 HB3 SER A 332 2.335 -0.004 -18.253 1.00 0.00 H new ATOM 0 HG SER A 332 0.069 -0.297 -18.647 1.00 0.00 H new ATOM 624 N GLY A 333 1.630 -2.248 -15.401 1.00 0.00 N ATOM 625 CA GLY A 333 1.909 -3.648 -15.174 1.00 0.00 C ATOM 626 C GLY A 333 1.712 -4.017 -13.719 1.00 0.00 C ATOM 627 O GLY A 333 0.825 -3.474 -13.057 1.00 0.00 O ATOM 0 H GLY A 333 0.697 -1.948 -15.118 1.00 0.00 H new ATOM 0 HA2 GLY A 333 1.255 -4.258 -15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.933 -3.870 -15.473 1.00 0.00 H new ATOM 631 N THR A 334 2.528 -4.928 -13.218 1.00 0.00 N ATOM 632 CA THR A 334 2.467 -5.313 -11.823 1.00 0.00 C ATOM 633 C THR A 334 3.621 -4.694 -11.046 1.00 0.00 C ATOM 634 O THR A 334 4.765 -5.141 -11.144 1.00 0.00 O ATOM 635 CB THR A 334 2.480 -6.844 -11.658 1.00 0.00 C ATOM 636 OG1 THR A 334 3.498 -7.428 -12.487 1.00 0.00 O ATOM 637 CG2 THR A 334 1.125 -7.436 -12.019 1.00 0.00 C ATOM 0 H THR A 334 3.242 -5.415 -13.760 1.00 0.00 H new ATOM 0 HA THR A 334 1.526 -4.938 -11.421 1.00 0.00 H new ATOM 0 HB THR A 334 2.696 -7.069 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.335 -6.929 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.156 -8.519 -11.895 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.360 -7.018 -11.365 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.887 -7.196 -13.055 1.00 0.00 H new ATOM 645 N TRP A 335 3.318 -3.655 -10.289 1.00 0.00 N ATOM 646 CA TRP A 335 4.338 -2.943 -9.536 1.00 0.00 C ATOM 647 C TRP A 335 4.516 -3.576 -8.171 1.00 0.00 C ATOM 648 O TRP A 335 3.539 -3.866 -7.471 1.00 0.00 O ATOM 649 CB TRP A 335 3.978 -1.459 -9.399 1.00 0.00 C ATOM 650 CG TRP A 335 5.043 -0.664 -8.715 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.218 -0.235 -9.255 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.034 -0.203 -7.361 1.00 0.00 C ATOM 653 NE1 TRP A 335 6.950 0.452 -8.320 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.240 0.490 -7.144 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.121 -0.310 -6.307 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.557 1.068 -5.920 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.436 0.267 -5.094 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.643 0.950 -4.913 1.00 0.00 C ATOM 0 H TRP A 335 2.374 -3.284 -10.178 1.00 0.00 H new ATOM 0 HA TRP A 335 5.280 -3.013 -10.080 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.799 -1.041 -10.389 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.047 -1.366 -8.840 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.529 -0.411 -10.274 1.00 0.00 H new ATOM 0 HE1 TRP A 335 7.870 0.866 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.186 -0.835 -6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.491 1.590 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.740 0.190 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.857 1.395 -3.953 1.00 0.00 H new ATOM 669 N ARG A 336 5.762 -3.789 -7.783 1.00 0.00 N ATOM 670 CA ARG A 336 6.072 -4.445 -6.521 1.00 0.00 C ATOM 671 C ARG A 336 6.980 -3.553 -5.681 1.00 0.00 C ATOM 672 O ARG A 336 8.008 -3.079 -6.159 1.00 0.00 O ATOM 673 CB ARG A 336 6.736 -5.802 -6.769 1.00 0.00 C ATOM 674 CG ARG A 336 5.834 -6.788 -7.498 1.00 0.00 C ATOM 675 CD ARG A 336 6.538 -8.109 -7.752 1.00 0.00 C ATOM 676 NE ARG A 336 5.686 -9.052 -8.477 1.00 0.00 N ATOM 677 CZ ARG A 336 6.157 -10.064 -9.207 1.00 0.00 C ATOM 678 NH1 ARG A 336 7.468 -10.247 -9.317 1.00 0.00 N ATOM 679 NH2 ARG A 336 5.319 -10.891 -9.821 1.00 0.00 N ATOM 0 H ARG A 336 6.581 -3.516 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 336 5.143 -4.615 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.645 -5.653 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.036 -6.232 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.934 -6.962 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.515 -6.357 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.449 -7.931 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.839 -8.549 -6.801 1.00 0.00 H new ATOM 0 HE ARG A 336 4.675 -8.929 -8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 336 8.113 -9.614 -8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 336 7.830 -11.020 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 336 4.312 -10.753 -9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 336 5.682 -11.664 -10.379 1.00 0.00 H new ATOM 693 N CYS A 337 6.588 -3.314 -4.445 1.00 0.00 N ATOM 694 CA CYS A 337 7.348 -2.439 -3.562 1.00 0.00 C ATOM 695 C CYS A 337 8.480 -3.202 -2.864 1.00 0.00 C ATOM 696 O CYS A 337 8.722 -4.372 -3.168 1.00 0.00 O ATOM 697 CB CYS A 337 6.422 -1.809 -2.515 1.00 0.00 C ATOM 698 SG CYS A 337 5.610 -3.012 -1.417 1.00 0.00 S ATOM 0 H CYS A 337 5.748 -3.712 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 337 7.792 -1.652 -4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.000 -1.112 -1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.656 -1.227 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 337 4.717 -3.678 -2.088 1.00 0.00 H new ATOM 703 N SER A 338 9.142 -2.551 -1.916 1.00 0.00 N ATOM 704 CA SER A 338 10.295 -3.132 -1.242 1.00 0.00 C ATOM 705 C SER A 338 9.918 -4.414 -0.500 1.00 0.00 C ATOM 706 O SER A 338 10.676 -5.387 -0.500 1.00 0.00 O ATOM 707 CB SER A 338 10.872 -2.104 -0.281 1.00 0.00 C ATOM 708 OG SER A 338 9.837 -1.509 0.481 1.00 0.00 O ATOM 0 H SER A 338 8.898 -1.614 -1.595 1.00 0.00 H new ATOM 0 HA SER A 338 11.044 -3.401 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.593 -2.581 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 338 11.410 -1.337 -0.838 1.00 0.00 H new ATOM 0 HG SER A 338 10.221 -0.851 1.097 1.00 0.00 H new ATOM 714 N SER A 339 8.744 -4.409 0.130 1.00 0.00 N ATOM 715 CA SER A 339 8.231 -5.585 0.832 1.00 0.00 C ATOM 716 C SER A 339 8.230 -6.812 -0.087 1.00 0.00 C ATOM 717 O SER A 339 8.659 -7.893 0.311 1.00 0.00 O ATOM 718 CB SER A 339 6.817 -5.306 1.358 1.00 0.00 C ATOM 719 OG SER A 339 6.306 -6.399 2.104 1.00 0.00 O ATOM 0 H SER A 339 8.127 -3.598 0.169 1.00 0.00 H new ATOM 0 HA SER A 339 8.886 -5.798 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.832 -4.414 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.153 -5.096 0.520 1.00 0.00 H new ATOM 0 HG SER A 339 5.458 -6.695 1.712 1.00 0.00 H new ATOM 725 N CYS A 340 7.759 -6.629 -1.317 1.00 0.00 N ATOM 726 CA CYS A 340 7.749 -7.709 -2.300 1.00 0.00 C ATOM 727 C CYS A 340 9.169 -8.092 -2.715 1.00 0.00 C ATOM 728 O CYS A 340 9.471 -9.267 -2.910 1.00 0.00 O ATOM 729 CB CYS A 340 6.951 -7.300 -3.538 1.00 0.00 C ATOM 730 SG CYS A 340 5.237 -6.796 -3.191 1.00 0.00 S ATOM 0 H CYS A 340 7.380 -5.745 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 340 7.276 -8.573 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.466 -6.477 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.937 -8.134 -4.239 1.00 0.00 H new ATOM 0 HG CYS A 340 5.004 -5.642 -3.743 1.00 0.00 H new ATOM 735 N LEU A 341 10.036 -7.094 -2.831 1.00 0.00 N ATOM 736 CA LEU A 341 11.410 -7.317 -3.270 1.00 0.00 C ATOM 737 C LEU A 341 12.203 -8.110 -2.232 1.00 0.00 C ATOM 738 O LEU A 341 13.061 -8.922 -2.581 1.00 0.00 O ATOM 739 CB LEU A 341 12.109 -5.983 -3.548 1.00 0.00 C ATOM 740 CG LEU A 341 11.446 -5.108 -4.614 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.202 -3.799 -4.781 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.369 -5.846 -5.942 1.00 0.00 C ATOM 0 H LEU A 341 9.812 -6.120 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 341 11.371 -7.899 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.160 -5.418 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.135 -6.186 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 341 10.432 -4.882 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.714 -3.192 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.207 -3.258 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.228 -4.007 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.894 -5.207 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.375 -6.104 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.783 -6.757 -5.819 1.00 0.00 H new