USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 299 CYS SG : rot 164:sc= -0.105 USER MOD Set 1.2: A 302 CYS SG : rot 132:sc= 1.26 USER MOD Set 1.3: A 319 HIS : no HD1:sc= -0.0662 K(o=-1.5,f=-6.4!) USER MOD Set 1.4: A 322 CYS SG : rot -69:sc= -2.55! USER MOD Set 2.1: A 311 CYS SG : rot 7:sc= -0.444! USER MOD Set 2.2: A 314 CYS SG : rot -131:sc= -3.56! USER MOD Set 2.3: A 337 CYS SG : rot -42:sc= 0.718 USER MOD Set 2.4: A 340 CYS SG : rot 149:sc= 1.66 USER MOD Set 3.1: A 295 ASN : amide:sc= 1.4 K(o=2.5,f=1.6) USER MOD Set 3.2: A 310 CYS SG : rot 130:sc= 1.11 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 28:sc= 0.147 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.090 -2.492 0.463 1.00 0.00 N ATOM 86 CA ASN A 295 -5.431 -1.483 -0.357 1.00 0.00 C ATOM 87 C ASN A 295 -5.554 -0.151 0.362 1.00 0.00 C ATOM 88 O ASN A 295 -6.639 0.428 0.424 1.00 0.00 O ATOM 89 CB ASN A 295 -6.061 -1.375 -1.756 1.00 0.00 C ATOM 90 CG ASN A 295 -5.928 -2.642 -2.578 1.00 0.00 C ATOM 91 OD1 ASN A 295 -6.807 -3.507 -2.559 1.00 0.00 O ATOM 92 ND2 ASN A 295 -4.841 -2.755 -3.326 1.00 0.00 N ATOM 0 HA ASN A 295 -4.388 -1.765 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -7.118 -1.128 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -5.592 -0.551 -2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -4.709 -3.579 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -4.136 -2.018 -3.315 1.00 0.00 H new ATOM 99 N GLU A 296 -4.453 0.332 0.901 1.00 0.00 N ATOM 100 CA GLU A 296 -4.478 1.548 1.697 1.00 0.00 C ATOM 101 C GLU A 296 -4.293 2.777 0.828 1.00 0.00 C ATOM 102 O GLU A 296 -3.400 2.833 -0.010 1.00 0.00 O ATOM 103 CB GLU A 296 -3.411 1.511 2.789 1.00 0.00 C ATOM 104 CG GLU A 296 -3.604 0.371 3.767 1.00 0.00 C ATOM 105 CD GLU A 296 -2.737 0.512 4.994 1.00 0.00 C ATOM 106 OE1 GLU A 296 -3.187 1.156 5.964 1.00 0.00 O ATOM 107 OE2 GLU A 296 -1.615 -0.029 5.003 1.00 0.00 O ATOM 0 H GLU A 296 -3.532 -0.095 0.805 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.458 1.607 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.428 1.423 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -3.423 2.455 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -4.651 0.328 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.376 -0.572 3.271 1.00 0.00 H new ATOM 114 N ASP A 297 -5.158 3.751 1.033 1.00 0.00 N ATOM 115 CA ASP A 297 -5.056 5.038 0.361 1.00 0.00 C ATOM 116 C ASP A 297 -4.189 5.980 1.188 1.00 0.00 C ATOM 117 O ASP A 297 -4.401 7.191 1.205 1.00 0.00 O ATOM 118 CB ASP A 297 -6.448 5.639 0.131 1.00 0.00 C ATOM 119 CG ASP A 297 -7.261 5.748 1.407 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.689 4.691 1.932 1.00 0.00 O ATOM 121 OD2 ASP A 297 -7.498 6.879 1.877 1.00 0.00 O ATOM 0 H ASP A 297 -5.952 3.676 1.669 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.589 4.895 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.342 6.629 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.990 5.024 -0.588 1.00 0.00 H new ATOM 126 N GLU A 298 -3.197 5.406 1.851 1.00 0.00 N ATOM 127 CA GLU A 298 -2.318 6.150 2.736 1.00 0.00 C ATOM 128 C GLU A 298 -0.872 5.932 2.310 1.00 0.00 C ATOM 129 O GLU A 298 -0.457 4.793 2.096 1.00 0.00 O ATOM 130 CB GLU A 298 -2.495 5.661 4.180 1.00 0.00 C ATOM 131 CG GLU A 298 -3.892 5.849 4.735 1.00 0.00 C ATOM 132 CD GLU A 298 -4.156 7.269 5.175 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.748 7.617 6.310 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.779 8.032 4.412 1.00 0.00 O ATOM 0 H GLU A 298 -2.980 4.411 1.790 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.567 7.210 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.237 4.603 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.788 6.190 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.621 5.566 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.036 5.178 5.581 1.00 0.00 H new ATOM 141 N CYS A 299 -0.110 7.003 2.172 1.00 0.00 N ATOM 142 CA CYS A 299 1.308 6.872 1.887 1.00 0.00 C ATOM 143 C CYS A 299 2.058 6.514 3.169 1.00 0.00 C ATOM 144 O CYS A 299 2.227 7.355 4.052 1.00 0.00 O ATOM 145 CB CYS A 299 1.876 8.158 1.296 1.00 0.00 C ATOM 146 SG CYS A 299 3.676 8.117 1.008 1.00 0.00 S ATOM 0 H CYS A 299 -0.445 7.963 2.252 1.00 0.00 H new ATOM 0 HA CYS A 299 1.436 6.078 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.373 8.364 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.645 8.986 1.967 1.00 0.00 H new ATOM 0 HG CYS A 299 4.011 9.093 0.218 1.00 0.00 H new ATOM 151 N ALA A 300 2.488 5.262 3.253 1.00 0.00 N ATOM 152 CA ALA A 300 3.225 4.758 4.420 1.00 0.00 C ATOM 153 C ALA A 300 4.576 5.456 4.618 1.00 0.00 C ATOM 154 O ALA A 300 5.386 5.023 5.441 1.00 0.00 O ATOM 155 CB ALA A 300 3.426 3.258 4.287 1.00 0.00 C ATOM 0 H ALA A 300 2.340 4.565 2.523 1.00 0.00 H new ATOM 0 HA ALA A 300 2.625 4.980 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.973 2.886 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.456 2.764 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.994 3.046 3.381 1.00 0.00 H new ATOM 161 N VAL A 301 4.827 6.524 3.872 1.00 0.00 N ATOM 162 CA VAL A 301 6.034 7.311 4.052 1.00 0.00 C ATOM 163 C VAL A 301 5.701 8.682 4.630 1.00 0.00 C ATOM 164 O VAL A 301 6.166 9.041 5.703 1.00 0.00 O ATOM 165 CB VAL A 301 6.796 7.495 2.719 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.974 8.446 2.887 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.270 6.155 2.178 1.00 0.00 C ATOM 0 H VAL A 301 4.208 6.863 3.136 1.00 0.00 H new ATOM 0 HA VAL A 301 6.672 6.765 4.747 1.00 0.00 H new ATOM 0 HB VAL A 301 6.105 7.934 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.491 8.556 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.612 9.419 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.663 8.044 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.803 6.309 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.937 5.686 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.410 5.508 2.004 1.00 0.00 H new ATOM 177 N CYS A 302 4.885 9.445 3.908 1.00 0.00 N ATOM 178 CA CYS A 302 4.601 10.825 4.290 1.00 0.00 C ATOM 179 C CYS A 302 3.255 10.976 4.996 1.00 0.00 C ATOM 180 O CYS A 302 2.874 12.084 5.368 1.00 0.00 O ATOM 181 CB CYS A 302 4.652 11.728 3.060 1.00 0.00 C ATOM 182 SG CYS A 302 6.263 11.726 2.210 1.00 0.00 S ATOM 0 H CYS A 302 4.411 9.134 3.060 1.00 0.00 H new ATOM 0 HA CYS A 302 5.370 11.125 5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 302 3.881 11.412 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 302 4.412 12.748 3.360 1.00 0.00 H new ATOM 0 HG CYS A 302 6.079 11.570 0.933 1.00 0.00 H new ATOM 187 N ARG A 303 2.548 9.856 5.179 1.00 0.00 N ATOM 188 CA ARG A 303 1.247 9.851 5.852 1.00 0.00 C ATOM 189 C ARG A 303 0.255 10.769 5.144 1.00 0.00 C ATOM 190 O ARG A 303 -0.508 11.498 5.776 1.00 0.00 O ATOM 191 CB ARG A 303 1.411 10.265 7.315 1.00 0.00 C ATOM 192 CG ARG A 303 2.398 9.392 8.068 1.00 0.00 C ATOM 193 CD ARG A 303 2.578 9.862 9.494 1.00 0.00 C ATOM 194 NE ARG A 303 3.635 9.122 10.180 1.00 0.00 N ATOM 195 CZ ARG A 303 4.286 9.567 11.255 1.00 0.00 C ATOM 196 NH1 ARG A 303 3.981 10.749 11.782 1.00 0.00 N ATOM 197 NH2 ARG A 303 5.245 8.831 11.805 1.00 0.00 N ATOM 0 H ARG A 303 2.859 8.936 4.868 1.00 0.00 H new ATOM 0 HA ARG A 303 0.847 8.838 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.744 11.302 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.441 10.220 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 303 2.048 8.360 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 303 3.360 9.404 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 303 2.817 10.925 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 303 1.640 9.744 10.037 1.00 0.00 H new ATOM 0 HE ARG A 303 3.891 8.206 9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 303 3.246 11.320 11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 303 4.482 11.085 12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 303 5.484 7.924 11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 303 5.742 9.173 12.627 1.00 0.00 H new ATOM 211 N ASP A 304 0.280 10.725 3.814 1.00 0.00 N ATOM 212 CA ASP A 304 -0.521 11.627 3.000 1.00 0.00 C ATOM 213 C ASP A 304 -1.098 10.878 1.801 1.00 0.00 C ATOM 214 O ASP A 304 -0.609 9.807 1.444 1.00 0.00 O ATOM 215 CB ASP A 304 0.357 12.799 2.536 1.00 0.00 C ATOM 216 CG ASP A 304 -0.402 13.850 1.751 1.00 0.00 C ATOM 217 OD1 ASP A 304 -1.521 14.222 2.169 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.124 14.316 0.726 1.00 0.00 O ATOM 0 H ASP A 304 0.850 10.070 3.278 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.352 12.015 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 304 0.814 13.268 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.169 12.413 1.920 1.00 0.00 H new ATOM 223 N GLY A 305 -2.143 11.427 1.195 1.00 0.00 N ATOM 224 CA GLY A 305 -2.742 10.794 0.041 1.00 0.00 C ATOM 225 C GLY A 305 -2.457 11.568 -1.224 1.00 0.00 C ATOM 226 O GLY A 305 -1.523 12.367 -1.272 1.00 0.00 O ATOM 0 H GLY A 305 -2.585 12.300 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.359 9.778 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.819 10.715 0.186 1.00 0.00 H new ATOM 230 N GLY A 306 -3.250 11.340 -2.264 1.00 0.00 N ATOM 231 CA GLY A 306 -3.054 12.057 -3.502 1.00 0.00 C ATOM 232 C GLY A 306 -2.541 11.164 -4.613 1.00 0.00 C ATOM 233 O GLY A 306 -3.193 10.183 -4.974 1.00 0.00 O ATOM 0 H GLY A 306 -4.022 10.673 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -3.997 12.509 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.348 12.871 -3.339 1.00 0.00 H new ATOM 237 N GLU A 307 -1.377 11.502 -5.148 1.00 0.00 N ATOM 238 CA GLU A 307 -0.760 10.719 -6.207 1.00 0.00 C ATOM 239 C GLU A 307 -0.142 9.455 -5.629 1.00 0.00 C ATOM 240 O GLU A 307 1.073 9.362 -5.467 1.00 0.00 O ATOM 241 CB GLU A 307 0.323 11.524 -6.948 1.00 0.00 C ATOM 242 CG GLU A 307 -0.116 12.907 -7.407 1.00 0.00 C ATOM 243 CD GLU A 307 -0.030 13.938 -6.299 1.00 0.00 C ATOM 244 OE1 GLU A 307 1.051 14.531 -6.116 1.00 0.00 O ATOM 245 OE2 GLU A 307 -1.037 14.158 -5.602 1.00 0.00 O ATOM 0 H GLU A 307 -0.838 12.320 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.541 10.457 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 307 1.188 11.631 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.649 10.954 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 307 0.507 13.224 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.141 12.857 -7.774 1.00 0.00 H new ATOM 252 N LEU A 308 -0.982 8.484 -5.318 1.00 0.00 N ATOM 253 CA LEU A 308 -0.524 7.267 -4.685 1.00 0.00 C ATOM 254 C LEU A 308 -0.476 6.129 -5.675 1.00 0.00 C ATOM 255 O LEU A 308 -1.242 6.093 -6.642 1.00 0.00 O ATOM 256 CB LEU A 308 -1.451 6.882 -3.537 1.00 0.00 C ATOM 257 CG LEU A 308 -1.467 7.850 -2.356 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.484 7.404 -1.332 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.088 7.953 -1.737 1.00 0.00 C ATOM 0 H LEU A 308 -1.986 8.518 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 308 0.479 7.453 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.465 6.793 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.161 5.896 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.751 8.839 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.487 8.101 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.474 7.381 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.226 6.407 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.117 8.647 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.227 6.971 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.619 8.316 -2.483 1.00 0.00 H new ATOM 271 N ILE A 309 0.425 5.206 -5.428 1.00 0.00 N ATOM 272 CA ILE A 309 0.497 3.982 -6.192 1.00 0.00 C ATOM 273 C ILE A 309 0.454 2.799 -5.234 1.00 0.00 C ATOM 274 O ILE A 309 1.310 2.668 -4.357 1.00 0.00 O ATOM 275 CB ILE A 309 1.764 3.937 -7.089 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.850 2.604 -7.838 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.026 4.175 -6.270 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.036 2.512 -8.777 1.00 0.00 C ATOM 0 H ILE A 309 1.128 5.282 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.359 3.934 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 309 1.683 4.739 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 309 1.907 1.792 -7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.933 2.457 -8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.897 4.138 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.971 5.154 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.114 3.404 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.033 1.541 -9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.970 3.302 -9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.959 2.626 -8.209 1.00 0.00 H new ATOM 290 N CYS A 310 -0.576 1.976 -5.354 1.00 0.00 N ATOM 291 CA CYS A 310 -0.760 0.850 -4.463 1.00 0.00 C ATOM 292 C CYS A 310 -0.135 -0.394 -5.067 1.00 0.00 C ATOM 293 O CYS A 310 -0.361 -0.704 -6.237 1.00 0.00 O ATOM 294 CB CYS A 310 -2.252 0.624 -4.198 1.00 0.00 C ATOM 295 SG CYS A 310 -2.598 -0.576 -2.891 1.00 0.00 S ATOM 0 H CYS A 310 -1.300 2.071 -6.066 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.269 1.064 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.711 1.576 -3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.727 0.288 -5.120 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.444 -0.066 -2.046 1.00 0.00 H new ATOM 301 N CYS A 311 0.673 -1.074 -4.275 1.00 0.00 N ATOM 302 CA CYS A 311 1.368 -2.271 -4.717 1.00 0.00 C ATOM 303 C CYS A 311 0.395 -3.393 -5.074 1.00 0.00 C ATOM 304 O CYS A 311 -0.673 -3.534 -4.483 1.00 0.00 O ATOM 305 CB CYS A 311 2.325 -2.734 -3.626 1.00 0.00 C ATOM 306 SG CYS A 311 3.306 -4.209 -4.055 1.00 0.00 S ATOM 0 H CYS A 311 0.867 -0.813 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 311 1.927 -2.025 -5.620 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.006 -1.917 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.752 -2.945 -2.723 1.00 0.00 H new ATOM 0 HG CYS A 311 3.104 -4.517 -5.302 1.00 0.00 H new ATOM 311 N ASP A 312 0.800 -4.195 -6.050 1.00 0.00 N ATOM 312 CA ASP A 312 -0.006 -5.313 -6.514 1.00 0.00 C ATOM 313 C ASP A 312 0.137 -6.516 -5.587 1.00 0.00 C ATOM 314 O ASP A 312 -0.563 -7.515 -5.744 1.00 0.00 O ATOM 315 CB ASP A 312 0.389 -5.713 -7.942 1.00 0.00 C ATOM 316 CG ASP A 312 -0.126 -4.752 -8.998 1.00 0.00 C ATOM 317 OD1 ASP A 312 -1.285 -4.920 -9.438 1.00 0.00 O ATOM 318 OD2 ASP A 312 0.626 -3.841 -9.390 1.00 0.00 O ATOM 0 H ASP A 312 1.689 -4.089 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 312 -1.047 -4.990 -6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.476 -5.768 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 312 0.006 -6.712 -8.151 1.00 0.00 H new ATOM 323 N GLY A 313 1.061 -6.425 -4.641 1.00 0.00 N ATOM 324 CA GLY A 313 1.287 -7.525 -3.718 1.00 0.00 C ATOM 325 C GLY A 313 0.981 -7.166 -2.280 1.00 0.00 C ATOM 326 O GLY A 313 0.508 -8.010 -1.512 1.00 0.00 O ATOM 0 H GLY A 313 1.659 -5.612 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 313 0.669 -8.373 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.326 -7.847 -3.793 1.00 0.00 H new ATOM 330 N CYS A 314 1.260 -5.930 -1.893 1.00 0.00 N ATOM 331 CA CYS A 314 1.048 -5.494 -0.524 1.00 0.00 C ATOM 332 C CYS A 314 -0.008 -4.394 -0.480 1.00 0.00 C ATOM 333 O CYS A 314 -0.217 -3.697 -1.474 1.00 0.00 O ATOM 334 CB CYS A 314 2.358 -4.990 0.091 1.00 0.00 C ATOM 335 SG CYS A 314 2.878 -3.350 -0.499 1.00 0.00 S ATOM 0 H CYS A 314 1.635 -5.211 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 314 0.697 -6.346 0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.247 -4.955 1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 314 3.148 -5.709 -0.126 1.00 0.00 H new ATOM 0 HG CYS A 314 4.126 -3.395 -0.862 1.00 0.00 H new ATOM 340 N PRO A 315 -0.689 -4.223 0.667 1.00 0.00 N ATOM 341 CA PRO A 315 -1.730 -3.199 0.832 1.00 0.00 C ATOM 342 C PRO A 315 -1.165 -1.782 0.931 1.00 0.00 C ATOM 343 O PRO A 315 -1.916 -0.811 0.992 1.00 0.00 O ATOM 344 CB PRO A 315 -2.403 -3.588 2.146 1.00 0.00 C ATOM 345 CG PRO A 315 -1.354 -4.317 2.909 1.00 0.00 C ATOM 346 CD PRO A 315 -0.512 -5.033 1.891 1.00 0.00 C ATOM 0 HA PRO A 315 -2.402 -3.173 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.748 -2.708 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.275 -4.218 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -0.750 -3.626 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -1.802 -5.023 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 315 0.534 -5.078 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.846 -6.060 1.745 1.00 0.00 H new ATOM 354 N ARG A 316 0.157 -1.680 0.944 1.00 0.00 N ATOM 355 CA ARG A 316 0.829 -0.398 1.109 1.00 0.00 C ATOM 356 C ARG A 316 0.767 0.450 -0.155 1.00 0.00 C ATOM 357 O ARG A 316 0.805 -0.073 -1.273 1.00 0.00 O ATOM 358 CB ARG A 316 2.290 -0.611 1.519 1.00 0.00 C ATOM 359 CG ARG A 316 2.471 -1.117 2.936 1.00 0.00 C ATOM 360 CD ARG A 316 3.944 -1.313 3.265 1.00 0.00 C ATOM 361 NE ARG A 316 4.151 -1.595 4.688 1.00 0.00 N ATOM 362 CZ ARG A 316 5.332 -1.868 5.242 1.00 0.00 C ATOM 363 NH1 ARG A 316 6.428 -1.957 4.492 1.00 0.00 N ATOM 364 NH2 ARG A 316 5.411 -2.069 6.549 1.00 0.00 N ATOM 0 H ARG A 316 0.789 -2.474 0.842 1.00 0.00 H new ATOM 0 HA ARG A 316 0.303 0.141 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.749 -1.321 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.827 0.331 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 316 2.030 -0.409 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.939 -2.060 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 316 4.343 -2.134 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 316 4.501 -0.418 2.987 1.00 0.00 H new ATOM 0 HE ARG A 316 3.333 -1.581 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 316 6.369 -1.816 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 316 7.327 -2.166 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 316 4.571 -2.014 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 316 6.312 -2.278 6.979 1.00 0.00 H new ATOM 378 N ALA A 317 0.670 1.759 0.039 1.00 0.00 N ATOM 379 CA ALA A 317 0.706 2.714 -1.048 1.00 0.00 C ATOM 380 C ALA A 317 1.738 3.791 -0.757 1.00 0.00 C ATOM 381 O ALA A 317 2.047 4.067 0.404 1.00 0.00 O ATOM 382 CB ALA A 317 -0.661 3.337 -1.269 1.00 0.00 C ATOM 0 H ALA A 317 0.564 2.184 0.960 1.00 0.00 H new ATOM 0 HA ALA A 317 0.988 2.188 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.607 4.051 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.381 2.556 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.977 3.852 -0.362 1.00 0.00 H new ATOM 388 N PHE A 318 2.268 4.395 -1.813 1.00 0.00 N ATOM 389 CA PHE A 318 3.337 5.377 -1.663 1.00 0.00 C ATOM 390 C PHE A 318 3.225 6.459 -2.731 1.00 0.00 C ATOM 391 O PHE A 318 2.529 6.279 -3.725 1.00 0.00 O ATOM 392 CB PHE A 318 4.707 4.706 -1.798 1.00 0.00 C ATOM 393 CG PHE A 318 4.942 3.578 -0.826 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.344 3.833 0.475 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.763 2.265 -1.226 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.559 2.798 1.361 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.979 1.225 -0.343 1.00 0.00 C ATOM 398 CZ PHE A 318 5.376 1.491 0.953 1.00 0.00 C ATOM 0 H PHE A 318 1.979 4.225 -2.776 1.00 0.00 H new ATOM 0 HA PHE A 318 3.239 5.823 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.813 4.324 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.483 5.459 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.491 4.853 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.452 2.052 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.870 3.009 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.838 0.204 -0.666 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.543 0.679 1.646 1.00 0.00 H new ATOM 408 N HIS A 319 3.899 7.583 -2.499 1.00 0.00 N ATOM 409 CA HIS A 319 4.039 8.614 -3.520 1.00 0.00 C ATOM 410 C HIS A 319 5.264 8.318 -4.375 1.00 0.00 C ATOM 411 O HIS A 319 6.231 7.721 -3.892 1.00 0.00 O ATOM 412 CB HIS A 319 4.185 10.010 -2.902 1.00 0.00 C ATOM 413 CG HIS A 319 2.965 10.524 -2.197 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.971 10.779 -0.852 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.756 10.862 -2.705 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.774 11.261 -0.570 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.005 11.333 -1.656 1.00 0.00 N ATOM 0 H HIS A 319 4.356 7.801 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 319 3.135 8.604 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.014 9.992 -2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.453 10.713 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.443 10.778 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.458 11.560 0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.044 11.672 -1.700 1.00 0.00 H new ATOM 425 N LEU A 320 5.225 8.749 -5.628 1.00 0.00 N ATOM 426 CA LEU A 320 6.263 8.417 -6.604 1.00 0.00 C ATOM 427 C LEU A 320 7.669 8.749 -6.093 1.00 0.00 C ATOM 428 O LEU A 320 8.520 7.861 -5.971 1.00 0.00 O ATOM 429 CB LEU A 320 5.990 9.158 -7.911 1.00 0.00 C ATOM 430 CG LEU A 320 4.679 8.787 -8.608 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.511 9.591 -9.888 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.628 7.294 -8.903 1.00 0.00 C ATOM 0 H LEU A 320 4.478 9.336 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 320 6.229 7.341 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 320 5.985 10.229 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.815 8.967 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 320 3.855 9.029 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.574 9.315 -10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.497 10.655 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.342 9.381 -10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 320 3.688 7.053 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.460 7.023 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 320 4.700 6.736 -7.969 1.00 0.00 H new ATOM 444 N ALA A 321 7.897 10.010 -5.736 1.00 0.00 N ATOM 445 CA ALA A 321 9.228 10.465 -5.334 1.00 0.00 C ATOM 446 C ALA A 321 9.543 10.078 -3.892 1.00 0.00 C ATOM 447 O ALA A 321 10.688 10.167 -3.447 1.00 0.00 O ATOM 448 CB ALA A 321 9.346 11.971 -5.516 1.00 0.00 C ATOM 0 H ALA A 321 7.180 10.735 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 321 9.957 9.970 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.341 12.297 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.184 12.225 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.598 12.471 -4.902 1.00 0.00 H new ATOM 454 N CYS A 322 8.518 9.675 -3.160 1.00 0.00 N ATOM 455 CA CYS A 322 8.690 9.238 -1.781 1.00 0.00 C ATOM 456 C CYS A 322 9.204 7.805 -1.734 1.00 0.00 C ATOM 457 O CYS A 322 9.677 7.338 -0.693 1.00 0.00 O ATOM 458 CB CYS A 322 7.372 9.366 -1.026 1.00 0.00 C ATOM 459 SG CYS A 322 6.705 11.061 -0.991 1.00 0.00 S ATOM 0 H CYS A 322 7.556 9.641 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 322 9.430 9.877 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.636 8.706 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.516 9.021 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 322 7.464 11.811 -0.248 1.00 0.00 H new ATOM 464 N LEU A 323 9.091 7.104 -2.853 1.00 0.00 N ATOM 465 CA LEU A 323 9.647 5.764 -2.979 1.00 0.00 C ATOM 466 C LEU A 323 11.171 5.790 -2.977 1.00 0.00 C ATOM 467 O LEU A 323 11.782 6.814 -3.281 1.00 0.00 O ATOM 468 CB LEU A 323 9.154 5.115 -4.268 1.00 0.00 C ATOM 469 CG LEU A 323 7.697 4.670 -4.240 1.00 0.00 C ATOM 470 CD1 LEU A 323 7.217 4.314 -5.640 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.533 3.489 -3.306 1.00 0.00 C ATOM 0 H LEU A 323 8.617 7.443 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 323 9.312 5.183 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.289 5.820 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.780 4.250 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 323 7.088 5.496 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 323 6.174 3.999 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 323 7.307 5.186 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.826 3.502 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.488 3.178 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.153 2.662 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.839 3.776 -2.300 1.00 0.00 H new ATOM 483 N SER A 324 11.776 4.670 -2.603 1.00 0.00 N ATOM 484 CA SER A 324 13.216 4.494 -2.691 1.00 0.00 C ATOM 485 C SER A 324 13.519 3.131 -3.318 1.00 0.00 C ATOM 486 O SER A 324 13.273 2.096 -2.695 1.00 0.00 O ATOM 487 CB SER A 324 13.846 4.600 -1.293 1.00 0.00 C ATOM 488 OG SER A 324 15.247 4.381 -1.332 1.00 0.00 O ATOM 0 H SER A 324 11.281 3.860 -2.231 1.00 0.00 H new ATOM 0 HA SER A 324 13.644 5.277 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.643 5.586 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.382 3.871 -0.628 1.00 0.00 H new ATOM 0 HG SER A 324 15.615 4.457 -0.427 1.00 0.00 H new ATOM 494 N PRO A 325 14.040 3.093 -4.561 1.00 0.00 N ATOM 495 CA PRO A 325 14.373 4.294 -5.338 1.00 0.00 C ATOM 496 C PRO A 325 13.133 5.053 -5.806 1.00 0.00 C ATOM 497 O PRO A 325 12.094 4.457 -6.095 1.00 0.00 O ATOM 498 CB PRO A 325 15.141 3.727 -6.538 1.00 0.00 C ATOM 499 CG PRO A 325 14.639 2.335 -6.680 1.00 0.00 C ATOM 500 CD PRO A 325 14.347 1.855 -5.297 1.00 0.00 C ATOM 0 HA PRO A 325 14.937 5.018 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 325 14.954 4.310 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.217 3.745 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 325 13.743 2.306 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.382 1.701 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.507 1.160 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.200 1.332 -4.865 1.00 0.00 H new ATOM 508 N PRO A 326 13.236 6.390 -5.876 1.00 0.00 N ATOM 509 CA PRO A 326 12.118 7.261 -6.240 1.00 0.00 C ATOM 510 C PRO A 326 11.611 7.006 -7.651 1.00 0.00 C ATOM 511 O PRO A 326 12.314 7.266 -8.635 1.00 0.00 O ATOM 512 CB PRO A 326 12.704 8.674 -6.136 1.00 0.00 C ATOM 513 CG PRO A 326 13.929 8.532 -5.300 1.00 0.00 C ATOM 514 CD PRO A 326 14.457 7.157 -5.577 1.00 0.00 C ATOM 0 HA PRO A 326 11.257 7.093 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.945 9.073 -7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.993 9.362 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.667 9.293 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.697 8.656 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.152 7.153 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.991 6.749 -4.719 1.00 0.00 H new ATOM 522 N LEU A 327 10.399 6.490 -7.745 1.00 0.00 N ATOM 523 CA LEU A 327 9.744 6.269 -9.028 1.00 0.00 C ATOM 524 C LEU A 327 9.297 7.610 -9.600 1.00 0.00 C ATOM 525 O LEU A 327 8.718 8.425 -8.891 1.00 0.00 O ATOM 526 CB LEU A 327 8.548 5.336 -8.814 1.00 0.00 C ATOM 527 CG LEU A 327 7.741 4.990 -10.062 1.00 0.00 C ATOM 528 CD1 LEU A 327 8.603 4.251 -11.081 1.00 0.00 C ATOM 529 CD2 LEU A 327 6.528 4.155 -9.690 1.00 0.00 C ATOM 0 H LEU A 327 9.840 6.212 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 327 10.430 5.805 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 327 8.910 4.409 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 327 7.878 5.796 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 327 7.401 5.920 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 327 8.005 4.016 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.444 4.881 -11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 327 8.977 3.327 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 327 5.961 3.915 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 327 6.855 3.232 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 327 5.896 4.717 -9.002 1.00 0.00 H new ATOM 541 N ARG A 328 9.578 7.852 -10.869 1.00 0.00 N ATOM 542 CA ARG A 328 9.290 9.158 -11.451 1.00 0.00 C ATOM 543 C ARG A 328 7.965 9.160 -12.214 1.00 0.00 C ATOM 544 O ARG A 328 7.270 10.175 -12.258 1.00 0.00 O ATOM 545 CB ARG A 328 10.441 9.601 -12.356 1.00 0.00 C ATOM 546 CG ARG A 328 10.587 8.780 -13.624 1.00 0.00 C ATOM 547 CD ARG A 328 11.981 8.911 -14.192 1.00 0.00 C ATOM 548 NE ARG A 328 12.982 8.300 -13.321 1.00 0.00 N ATOM 549 CZ ARG A 328 14.296 8.437 -13.482 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.777 9.168 -14.472 1.00 0.00 N ATOM 551 NH2 ARG A 328 15.129 7.838 -12.643 1.00 0.00 N ATOM 0 H ARG A 328 9.998 7.177 -11.509 1.00 0.00 H new ATOM 0 HA ARG A 328 9.192 9.872 -10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.293 10.646 -12.628 1.00 0.00 H new ATOM 0 HB3 ARG A 328 11.373 9.547 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 328 10.374 7.733 -13.411 1.00 0.00 H new ATOM 0 HG3 ARG A 328 9.856 9.110 -14.362 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.019 8.441 -15.175 1.00 0.00 H new ATOM 0 HD3 ARG A 328 12.218 9.965 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 328 12.653 7.732 -12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 328 14.140 9.632 -15.119 1.00 0.00 H new ATOM 0 HH12 ARG A 328 15.785 9.268 -14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 328 14.763 7.274 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 328 16.137 7.941 -12.764 1.00 0.00 H new ATOM 565 N GLU A 329 7.607 8.024 -12.808 1.00 0.00 N ATOM 566 CA GLU A 329 6.377 7.911 -13.575 1.00 0.00 C ATOM 567 C GLU A 329 5.715 6.577 -13.288 1.00 0.00 C ATOM 568 O GLU A 329 6.387 5.617 -12.915 1.00 0.00 O ATOM 569 CB GLU A 329 6.664 8.020 -15.080 1.00 0.00 C ATOM 570 CG GLU A 329 7.206 9.371 -15.507 1.00 0.00 C ATOM 571 CD GLU A 329 7.461 9.438 -16.996 1.00 0.00 C ATOM 572 OE1 GLU A 329 8.568 9.062 -17.437 1.00 0.00 O ATOM 573 OE2 GLU A 329 6.552 9.863 -17.743 1.00 0.00 O ATOM 0 H GLU A 329 8.158 7.166 -12.770 1.00 0.00 H new ATOM 0 HA GLU A 329 5.713 8.725 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.380 7.247 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.745 7.818 -15.631 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.498 10.150 -15.226 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.133 9.575 -14.972 1.00 0.00 H new ATOM 580 N ILE A 330 4.403 6.522 -13.453 1.00 0.00 N ATOM 581 CA ILE A 330 3.656 5.288 -13.226 1.00 0.00 C ATOM 582 C ILE A 330 3.898 4.317 -14.382 1.00 0.00 C ATOM 583 O ILE A 330 3.465 4.561 -15.507 1.00 0.00 O ATOM 584 CB ILE A 330 2.140 5.563 -13.096 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.875 6.543 -11.946 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.381 4.260 -12.875 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.418 6.929 -11.799 1.00 0.00 C ATOM 0 H ILE A 330 3.831 7.315 -13.743 1.00 0.00 H new ATOM 0 HA ILE A 330 4.007 4.850 -12.292 1.00 0.00 H new ATOM 0 HB ILE A 330 1.786 6.014 -14.023 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.219 6.096 -11.013 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.466 7.445 -12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.315 4.470 -12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.549 3.593 -13.720 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.735 3.783 -11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.308 7.624 -10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.073 7.405 -12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -0.177 6.036 -11.608 1.00 0.00 H new ATOM 599 N PRO A 331 4.598 3.203 -14.108 1.00 0.00 N ATOM 600 CA PRO A 331 4.967 2.224 -15.126 1.00 0.00 C ATOM 601 C PRO A 331 3.763 1.454 -15.650 1.00 0.00 C ATOM 602 O PRO A 331 2.811 1.189 -14.909 1.00 0.00 O ATOM 603 CB PRO A 331 5.937 1.289 -14.407 1.00 0.00 C ATOM 604 CG PRO A 331 5.562 1.394 -12.966 1.00 0.00 C ATOM 605 CD PRO A 331 5.072 2.801 -12.764 1.00 0.00 C ATOM 0 HA PRO A 331 5.402 2.701 -16.004 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.842 0.265 -14.768 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.972 1.589 -14.570 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.787 0.671 -12.711 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.418 1.183 -12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.270 2.844 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.868 3.455 -12.408 1.00 0.00 H new ATOM 613 N SER A 332 3.806 1.099 -16.922 1.00 0.00 N ATOM 614 CA SER A 332 2.725 0.366 -17.545 1.00 0.00 C ATOM 615 C SER A 332 2.867 -1.131 -17.260 1.00 0.00 C ATOM 616 O SER A 332 3.420 -1.881 -18.066 1.00 0.00 O ATOM 617 CB SER A 332 2.725 0.643 -19.055 1.00 0.00 C ATOM 618 OG SER A 332 1.564 0.130 -19.683 1.00 0.00 O ATOM 0 H SER A 332 4.585 1.310 -17.545 1.00 0.00 H new ATOM 0 HA SER A 332 1.773 0.696 -17.129 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.787 1.717 -19.228 1.00 0.00 H new ATOM 0 HB3 SER A 332 3.610 0.196 -19.507 1.00 0.00 H new ATOM 0 HG SER A 332 1.597 0.326 -20.643 1.00 0.00 H new ATOM 624 N GLY A 333 2.384 -1.552 -16.105 1.00 0.00 N ATOM 625 CA GLY A 333 2.458 -2.946 -15.729 1.00 0.00 C ATOM 626 C GLY A 333 2.022 -3.171 -14.298 1.00 0.00 C ATOM 627 O GLY A 333 1.100 -2.512 -13.816 1.00 0.00 O ATOM 0 H GLY A 333 1.938 -0.948 -15.415 1.00 0.00 H new ATOM 0 HA2 GLY A 333 1.829 -3.535 -16.396 1.00 0.00 H new ATOM 0 HA3 GLY A 333 3.480 -3.302 -15.857 1.00 0.00 H new ATOM 631 N THR A 334 2.683 -4.098 -13.622 1.00 0.00 N ATOM 632 CA THR A 334 2.389 -4.386 -12.224 1.00 0.00 C ATOM 633 C THR A 334 3.545 -3.928 -11.345 1.00 0.00 C ATOM 634 O THR A 334 4.709 -4.205 -11.649 1.00 0.00 O ATOM 635 CB THR A 334 2.144 -5.888 -11.991 1.00 0.00 C ATOM 636 OG1 THR A 334 3.277 -6.645 -12.444 1.00 0.00 O ATOM 637 CG2 THR A 334 0.897 -6.347 -12.728 1.00 0.00 C ATOM 0 H THR A 334 3.430 -4.667 -14.020 1.00 0.00 H new ATOM 0 HA THR A 334 1.480 -3.845 -11.962 1.00 0.00 H new ATOM 0 HB THR A 334 2.001 -6.052 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.085 -6.094 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.741 -7.411 -12.551 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.034 -5.788 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 334 1.021 -6.171 -13.797 1.00 0.00 H new ATOM 645 N TRP A 335 3.245 -3.230 -10.262 1.00 0.00 N ATOM 646 CA TRP A 335 4.289 -2.681 -9.406 1.00 0.00 C ATOM 647 C TRP A 335 4.370 -3.425 -8.080 1.00 0.00 C ATOM 648 O TRP A 335 3.351 -3.757 -7.470 1.00 0.00 O ATOM 649 CB TRP A 335 4.040 -1.189 -9.171 1.00 0.00 C ATOM 650 CG TRP A 335 5.090 -0.533 -8.332 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.348 -0.176 -8.728 1.00 0.00 C ATOM 652 CD2 TRP A 335 4.972 -0.152 -6.961 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.021 0.400 -7.676 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.194 0.429 -6.585 1.00 0.00 C ATOM 655 CE3 TRP A 335 3.947 -0.242 -6.014 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.420 0.912 -5.297 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.174 0.238 -4.736 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.401 0.808 -4.391 1.00 0.00 C ATOM 0 H TRP A 335 2.293 -3.030 -9.954 1.00 0.00 H new ATOM 0 HA TRP A 335 5.246 -2.808 -9.912 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.987 -0.682 -10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.070 -1.062 -8.690 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.753 -0.324 -9.718 1.00 0.00 H new ATOM 0 HE1 TRP A 335 7.979 0.749 -7.704 1.00 0.00 H new ATOM 0 HE3 TRP A 335 2.994 -0.679 -6.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.367 1.353 -5.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.391 0.171 -3.995 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.549 1.175 -3.386 1.00 0.00 H new ATOM 669 N ARG A 336 5.591 -3.687 -7.628 1.00 0.00 N ATOM 670 CA ARG A 336 5.815 -4.367 -6.362 1.00 0.00 C ATOM 671 C ARG A 336 6.748 -3.523 -5.505 1.00 0.00 C ATOM 672 O ARG A 336 7.787 -3.064 -5.975 1.00 0.00 O ATOM 673 CB ARG A 336 6.396 -5.765 -6.593 1.00 0.00 C ATOM 674 CG ARG A 336 5.466 -6.688 -7.368 1.00 0.00 C ATOM 675 CD ARG A 336 6.003 -8.108 -7.430 1.00 0.00 C ATOM 676 NE ARG A 336 5.110 -9.000 -8.172 1.00 0.00 N ATOM 677 CZ ARG A 336 4.867 -10.268 -7.831 1.00 0.00 C ATOM 678 NH1 ARG A 336 5.425 -10.797 -6.753 1.00 0.00 N ATOM 679 NH2 ARG A 336 4.047 -11.001 -8.579 1.00 0.00 N ATOM 0 H ARG A 336 6.445 -3.436 -8.125 1.00 0.00 H new ATOM 0 HA ARG A 336 4.865 -4.491 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.338 -5.674 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 336 6.625 -6.219 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.483 -6.692 -6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.334 -6.305 -8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 336 6.985 -8.104 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.137 -8.489 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 336 4.645 -8.630 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 336 6.048 -10.235 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 336 5.232 -11.767 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 336 3.610 -10.594 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 336 3.856 -11.970 -8.326 1.00 0.00 H new ATOM 693 N CYS A 337 6.364 -3.301 -4.258 1.00 0.00 N ATOM 694 CA CYS A 337 7.122 -2.423 -3.373 1.00 0.00 C ATOM 695 C CYS A 337 8.449 -3.053 -2.943 1.00 0.00 C ATOM 696 O CYS A 337 8.726 -4.211 -3.270 1.00 0.00 O ATOM 697 CB CYS A 337 6.303 -2.071 -2.136 1.00 0.00 C ATOM 698 SG CYS A 337 6.081 -3.460 -0.972 1.00 0.00 S ATOM 0 H CYS A 337 5.534 -3.715 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 337 7.342 -1.516 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 337 6.789 -1.247 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.322 -1.715 -2.451 1.00 0.00 H new ATOM 0 HG CYS A 337 5.835 -4.549 -1.638 1.00 0.00 H new ATOM 703 N SER A 338 9.243 -2.305 -2.186 1.00 0.00 N ATOM 704 CA SER A 338 10.559 -2.762 -1.761 1.00 0.00 C ATOM 705 C SER A 338 10.455 -4.042 -0.926 1.00 0.00 C ATOM 706 O SER A 338 11.252 -4.964 -1.094 1.00 0.00 O ATOM 707 CB SER A 338 11.250 -1.657 -0.962 1.00 0.00 C ATOM 708 OG SER A 338 11.143 -0.412 -1.641 1.00 0.00 O ATOM 0 H SER A 338 8.995 -1.373 -1.852 1.00 0.00 H new ATOM 0 HA SER A 338 11.152 -2.991 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 338 10.799 -1.579 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.300 -1.909 -0.815 1.00 0.00 H new ATOM 0 HG SER A 338 11.588 0.286 -1.117 1.00 0.00 H new ATOM 714 N SER A 339 9.454 -4.098 -0.052 1.00 0.00 N ATOM 715 CA SER A 339 9.179 -5.298 0.733 1.00 0.00 C ATOM 716 C SER A 339 9.034 -6.523 -0.173 1.00 0.00 C ATOM 717 O SER A 339 9.587 -7.583 0.111 1.00 0.00 O ATOM 718 CB SER A 339 7.903 -5.111 1.554 1.00 0.00 C ATOM 719 OG SER A 339 8.005 -4.002 2.435 1.00 0.00 O ATOM 0 H SER A 339 8.817 -3.323 0.131 1.00 0.00 H new ATOM 0 HA SER A 339 10.021 -5.461 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.056 -4.967 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.704 -6.016 2.129 1.00 0.00 H new ATOM 0 HG SER A 339 7.172 -3.910 2.943 1.00 0.00 H new ATOM 725 N CYS A 340 8.305 -6.360 -1.271 1.00 0.00 N ATOM 726 CA CYS A 340 8.087 -7.451 -2.210 1.00 0.00 C ATOM 727 C CYS A 340 9.365 -7.759 -2.996 1.00 0.00 C ATOM 728 O CYS A 340 9.649 -8.917 -3.299 1.00 0.00 O ATOM 729 CB CYS A 340 6.950 -7.100 -3.174 1.00 0.00 C ATOM 730 SG CYS A 340 5.391 -6.646 -2.351 1.00 0.00 S ATOM 0 H CYS A 340 7.855 -5.482 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 340 7.811 -8.339 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.268 -6.272 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.768 -7.952 -3.829 1.00 0.00 H new ATOM 0 HG CYS A 340 4.748 -5.785 -3.083 1.00 0.00 H new ATOM 735 N LEU A 341 10.140 -6.723 -3.301 1.00 0.00 N ATOM 736 CA LEU A 341 11.392 -6.891 -4.035 1.00 0.00 C ATOM 737 C LEU A 341 12.439 -7.593 -3.180 1.00 0.00 C ATOM 738 O LEU A 341 13.247 -8.378 -3.681 1.00 0.00 O ATOM 739 CB LEU A 341 11.932 -5.536 -4.495 1.00 0.00 C ATOM 740 CG LEU A 341 11.029 -4.764 -5.469 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.655 -3.426 -5.826 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.769 -5.589 -6.712 1.00 0.00 C ATOM 0 H LEU A 341 9.924 -5.758 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 341 11.182 -7.509 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.104 -4.915 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 341 12.901 -5.692 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 341 10.073 -4.571 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.003 -2.892 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 341 11.788 -2.833 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.624 -3.592 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.128 -5.029 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.715 -5.812 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.277 -6.521 -6.434 1.00 0.00 H new