USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 505 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 Single : A 274 TYR OH : rot 180:sc= 0 USER MOD Single : A 278 THR OG1 : rot 120:sc= -0.0961 USER MOD Single : A 279 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 THR OG1 : rot -62:sc= 0.245 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc= 0.413 X(o=0.41,f=-0.044) USER MOD Single : A 288 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 CYS SG : rot 160:sc= -0.355 USER MOD Single : A 305 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 323 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 331 MET CE :methyl 171:sc= 0 (180deg=-0.129) USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 348 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 349 CYS SG : rot -53:sc= 0.321 USER MOD Single : A 350 LYS NZ :NH3+ -172:sc=-0.00148 (180deg=-0.08) USER MOD Single : A 352 ASN : amide:sc= -0.563 K(o=-0.56,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 126 N TYR A 274 13.711 -3.124 -5.608 1.00 0.00 N ATOM 127 CA TYR A 274 12.806 -2.604 -6.612 1.00 0.00 C ATOM 128 C TYR A 274 13.372 -1.284 -7.158 1.00 0.00 C ATOM 129 O TYR A 274 14.102 -0.640 -6.407 1.00 0.00 O ATOM 130 CB TYR A 274 11.432 -2.269 -5.937 1.00 0.00 C ATOM 131 CG TYR A 274 10.915 -3.362 -5.034 1.00 0.00 C ATOM 132 CD1 TYR A 274 10.346 -4.523 -5.534 1.00 0.00 C ATOM 133 CD2 TYR A 274 10.959 -3.185 -3.658 1.00 0.00 C ATOM 134 CE1 TYR A 274 9.826 -5.485 -4.681 1.00 0.00 C ATOM 135 CE2 TYR A 274 10.453 -4.151 -2.814 1.00 0.00 C ATOM 136 CZ TYR A 274 9.882 -5.295 -3.315 1.00 0.00 C ATOM 137 OH TYR A 274 9.346 -6.236 -2.411 1.00 0.00 O ATOM 0 HA TYR A 274 12.686 -3.341 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 274 11.536 -1.351 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 274 10.694 -2.073 -6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 274 10.307 -4.680 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 274 11.392 -2.285 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 274 9.378 -6.381 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 274 10.506 -4.006 -1.745 1.00 0.00 H new ATOM 0 HH TYR A 274 9.484 -5.923 -1.493 1.00 0.00 H new ATOM 147 N PRO A 275 13.124 -0.799 -8.394 1.00 0.00 N ATOM 148 CA PRO A 275 13.630 0.490 -8.899 1.00 0.00 C ATOM 149 C PRO A 275 13.156 1.750 -8.137 1.00 0.00 C ATOM 150 O PRO A 275 13.919 2.712 -8.100 1.00 0.00 O ATOM 151 CB PRO A 275 13.157 0.517 -10.370 1.00 0.00 C ATOM 152 CG PRO A 275 12.945 -0.949 -10.757 1.00 0.00 C ATOM 153 CD PRO A 275 12.515 -1.612 -9.447 1.00 0.00 C ATOM 0 HA PRO A 275 14.711 0.538 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 275 12.235 1.088 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 275 13.900 0.989 -11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 275 12.181 -1.053 -11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 275 13.858 -1.395 -11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 275 11.429 -1.632 -9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 275 12.858 -2.645 -9.396 1.00 0.00 H new ATOM 161 N GLU A 276 11.913 1.719 -7.562 1.00 0.00 N ATOM 162 CA GLU A 276 11.175 2.750 -6.825 1.00 0.00 C ATOM 163 C GLU A 276 10.283 3.512 -7.786 1.00 0.00 C ATOM 164 O GLU A 276 10.756 4.083 -8.771 1.00 0.00 O ATOM 165 CB GLU A 276 12.040 3.681 -5.932 1.00 0.00 C ATOM 166 CG GLU A 276 11.311 4.527 -4.866 1.00 0.00 C ATOM 167 CD GLU A 276 10.739 5.823 -5.444 1.00 0.00 C ATOM 168 OE1 GLU A 276 11.542 6.638 -5.973 1.00 0.00 O ATOM 169 OE2 GLU A 276 9.498 6.020 -5.360 1.00 0.00 O ATOM 0 H GLU A 276 11.357 0.866 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 276 10.559 2.229 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 276 12.781 3.065 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 276 12.586 4.361 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 276 10.504 3.939 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 276 12.004 4.766 -4.059 1.00 0.00 H new ATOM 176 N GLY A 277 8.930 3.477 -7.559 1.00 0.00 N ATOM 177 CA GLY A 277 7.988 4.075 -8.523 1.00 0.00 C ATOM 178 C GLY A 277 7.452 3.074 -9.500 1.00 0.00 C ATOM 179 O GLY A 277 6.802 3.353 -10.498 1.00 0.00 O ATOM 0 H GLY A 277 8.494 3.052 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 277 7.158 4.529 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 277 8.489 4.876 -9.067 1.00 0.00 H new ATOM 183 N THR A 278 7.726 1.835 -9.104 1.00 0.00 N ATOM 184 CA THR A 278 7.327 0.524 -9.588 1.00 0.00 C ATOM 185 C THR A 278 6.256 0.126 -8.605 1.00 0.00 C ATOM 186 O THR A 278 6.382 0.342 -7.401 1.00 0.00 O ATOM 187 CB THR A 278 8.469 -0.506 -9.615 1.00 0.00 C ATOM 188 OG1 THR A 278 9.642 0.017 -8.998 1.00 0.00 O ATOM 189 CG2 THR A 278 8.814 -0.801 -11.088 1.00 0.00 C ATOM 0 H THR A 278 8.339 1.716 -8.297 1.00 0.00 H new ATOM 0 HA THR A 278 6.998 0.558 -10.627 1.00 0.00 H new ATOM 0 HB THR A 278 8.147 -1.400 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 278 9.889 -0.546 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 278 9.623 -1.530 -11.133 1.00 0.00 H new ATOM 0 HG22 THR A 278 7.936 -1.201 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 278 9.128 0.120 -11.580 1.00 0.00 H new ATOM 197 N LYS A 279 5.121 -0.402 -9.098 1.00 0.00 N ATOM 198 CA LYS A 279 3.941 -0.662 -8.297 1.00 0.00 C ATOM 199 C LYS A 279 3.716 -2.093 -7.921 1.00 0.00 C ATOM 200 O LYS A 279 4.190 -3.019 -8.574 1.00 0.00 O ATOM 201 CB LYS A 279 2.722 -0.052 -9.031 1.00 0.00 C ATOM 202 CG LYS A 279 2.427 -0.663 -10.414 1.00 0.00 C ATOM 203 CD LYS A 279 1.806 0.341 -11.397 1.00 0.00 C ATOM 204 CE LYS A 279 0.534 1.011 -10.860 1.00 0.00 C ATOM 205 NZ LYS A 279 -0.086 1.884 -11.882 1.00 0.00 N ATOM 0 H LYS A 279 5.010 -0.659 -10.079 1.00 0.00 H new ATOM 0 HA LYS A 279 4.095 -0.184 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 279 1.840 -0.171 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 279 2.886 1.019 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 279 3.353 -1.052 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 279 1.751 -1.510 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 279 2.541 1.110 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 279 1.572 -0.172 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 279 -0.179 0.247 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 279 0.776 1.599 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 279 -0.943 2.323 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 279 0.587 2.627 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 279 -0.338 1.317 -12.716 1.00 0.00 H new ATOM 219 N LEU A 280 3.025 -2.253 -6.764 1.00 0.00 N ATOM 220 CA LEU A 280 2.751 -3.536 -6.123 1.00 0.00 C ATOM 221 C LEU A 280 1.281 -3.628 -5.908 1.00 0.00 C ATOM 222 O LEU A 280 0.497 -2.703 -6.081 1.00 0.00 O ATOM 223 CB LEU A 280 3.465 -3.821 -4.745 1.00 0.00 C ATOM 224 CG LEU A 280 4.939 -3.395 -4.604 1.00 0.00 C ATOM 225 CD1 LEU A 280 5.550 -3.839 -3.266 1.00 0.00 C ATOM 226 CD2 LEU A 280 5.849 -3.894 -5.728 1.00 0.00 C ATOM 0 H LEU A 280 2.638 -1.463 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 280 3.159 -4.284 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 280 2.895 -3.322 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 280 3.405 -4.892 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 280 4.895 -2.307 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 280 6.589 -3.515 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 280 4.990 -3.392 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 280 5.504 -4.925 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 280 6.868 -3.550 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 280 5.833 -4.984 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 280 5.495 -3.505 -6.683 1.00 0.00 H new ATOM 238 N THR A 281 0.879 -4.801 -5.444 1.00 0.00 N ATOM 239 CA THR A 281 -0.461 -5.032 -4.947 1.00 0.00 C ATOM 240 C THR A 281 -0.277 -5.625 -3.566 1.00 0.00 C ATOM 241 O THR A 281 0.590 -6.467 -3.334 1.00 0.00 O ATOM 242 CB THR A 281 -1.339 -5.842 -5.916 1.00 0.00 C ATOM 243 OG1 THR A 281 -2.233 -4.954 -6.573 1.00 0.00 O ATOM 244 CG2 THR A 281 -2.196 -6.968 -5.293 1.00 0.00 C ATOM 0 H THR A 281 1.481 -5.623 -5.403 1.00 0.00 H new ATOM 0 HA THR A 281 -1.039 -4.111 -4.873 1.00 0.00 H new ATOM 0 HB THR A 281 -0.627 -6.334 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 281 -2.824 -4.537 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 281 -2.769 -7.465 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 281 -1.545 -7.693 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 281 -2.879 -6.541 -4.559 1.00 0.00 H new ATOM 252 N GLY A 282 -1.107 -5.138 -2.618 1.00 0.00 N ATOM 253 CA GLY A 282 -1.103 -5.548 -1.219 1.00 0.00 C ATOM 254 C GLY A 282 -2.470 -5.505 -0.648 1.00 0.00 C ATOM 255 O GLY A 282 -3.457 -5.093 -1.262 1.00 0.00 O ATOM 0 H GLY A 282 -1.813 -4.430 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.701 -6.558 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.445 -4.894 -0.647 1.00 0.00 H new ATOM 259 N ARG A 283 -2.534 -5.975 0.609 1.00 0.00 N ATOM 260 CA ARG A 283 -3.758 -6.131 1.374 1.00 0.00 C ATOM 261 C ARG A 283 -3.629 -5.236 2.562 1.00 0.00 C ATOM 262 O ARG A 283 -2.591 -5.212 3.204 1.00 0.00 O ATOM 263 CB ARG A 283 -3.938 -7.593 1.883 1.00 0.00 C ATOM 264 CG ARG A 283 -4.053 -8.643 0.766 1.00 0.00 C ATOM 265 CD ARG A 283 -4.530 -10.009 1.287 1.00 0.00 C ATOM 266 NE ARG A 283 -4.683 -10.966 0.131 1.00 0.00 N ATOM 267 CZ ARG A 283 -5.845 -11.139 -0.578 1.00 0.00 C ATOM 268 NH1 ARG A 283 -6.975 -10.442 -0.267 1.00 0.00 N ATOM 269 NH2 ARG A 283 -5.869 -12.027 -1.615 1.00 0.00 N ATOM 0 H ARG A 283 -1.703 -6.263 1.126 1.00 0.00 H new ATOM 0 HA ARG A 283 -4.616 -5.887 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.092 -7.850 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -4.832 -7.641 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -4.748 -8.285 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -3.084 -8.761 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -3.814 -10.405 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -5.480 -9.899 1.809 1.00 0.00 H new ATOM 0 HE ARG A 283 -3.871 -11.520 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -6.967 -9.776 0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -7.828 -10.586 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -5.029 -12.553 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -6.727 -12.164 -2.149 1.00 0.00 H new ATOM 283 N VAL A 284 -4.671 -4.462 2.910 1.00 0.00 N ATOM 284 CA VAL A 284 -4.636 -3.506 4.047 1.00 0.00 C ATOM 285 C VAL A 284 -4.812 -4.121 5.419 1.00 0.00 C ATOM 286 O VAL A 284 -5.696 -4.941 5.665 1.00 0.00 O ATOM 287 CB VAL A 284 -5.735 -2.441 3.906 1.00 0.00 C ATOM 288 CG1 VAL A 284 -5.916 -1.470 5.107 1.00 0.00 C ATOM 289 CG2 VAL A 284 -5.377 -1.610 2.678 1.00 0.00 C ATOM 0 H VAL A 284 -5.563 -4.476 2.416 1.00 0.00 H new ATOM 0 HA VAL A 284 -3.631 -3.087 3.989 1.00 0.00 H new ATOM 0 HB VAL A 284 -6.680 -2.981 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 284 -6.719 -0.767 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 284 -6.167 -2.040 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 284 -4.989 -0.921 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 284 -6.129 -0.835 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 284 -4.402 -1.146 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 284 -5.344 -2.254 1.800 1.00 0.00 H new ATOM 299 N THR A 285 -3.932 -3.689 6.348 1.00 0.00 N ATOM 300 CA THR A 285 -3.893 -4.217 7.711 1.00 0.00 C ATOM 301 C THR A 285 -4.102 -3.177 8.814 1.00 0.00 C ATOM 302 O THR A 285 -4.798 -3.467 9.790 1.00 0.00 O ATOM 303 CB THR A 285 -2.710 -5.175 7.897 1.00 0.00 C ATOM 304 OG1 THR A 285 -2.914 -6.125 8.937 1.00 0.00 O ATOM 305 CG2 THR A 285 -1.377 -4.448 8.105 1.00 0.00 C ATOM 0 H THR A 285 -3.235 -2.967 6.166 1.00 0.00 H new ATOM 0 HA THR A 285 -4.786 -4.828 7.843 1.00 0.00 H new ATOM 0 HB THR A 285 -2.653 -5.721 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 285 -2.129 -6.707 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 285 -0.579 -5.180 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 285 -1.164 -3.824 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 285 -1.439 -3.822 8.995 1.00 0.00 H new ATOM 313 N ASN A 286 -3.467 -1.957 8.768 1.00 0.00 N ATOM 314 CA ASN A 286 -3.757 -0.937 9.784 1.00 0.00 C ATOM 315 C ASN A 286 -3.920 0.419 9.157 1.00 0.00 C ATOM 316 O ASN A 286 -3.657 0.590 7.972 1.00 0.00 O ATOM 317 CB ASN A 286 -2.870 -1.004 11.071 1.00 0.00 C ATOM 318 CG ASN A 286 -3.744 -1.147 12.331 1.00 0.00 C ATOM 319 OD1 ASN A 286 -3.756 -0.292 13.216 1.00 0.00 O ATOM 320 ND2 ASN A 286 -4.525 -2.257 12.383 1.00 0.00 N ATOM 0 H ASN A 286 -2.783 -1.684 8.062 1.00 0.00 H new ATOM 0 HA ASN A 286 -4.730 -1.182 10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -2.184 -1.848 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -2.261 -0.103 11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -5.150 -2.404 13.176 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -4.487 -2.943 11.629 1.00 0.00 H new ATOM 327 N LEU A 287 -4.296 1.446 9.951 1.00 0.00 N ATOM 328 CA LEU A 287 -4.288 2.839 9.534 1.00 0.00 C ATOM 329 C LEU A 287 -3.381 3.576 10.475 1.00 0.00 C ATOM 330 O LEU A 287 -3.344 3.286 11.670 1.00 0.00 O ATOM 331 CB LEU A 287 -5.715 3.463 9.469 1.00 0.00 C ATOM 332 CG LEU A 287 -6.048 3.952 8.047 1.00 0.00 C ATOM 333 CD1 LEU A 287 -6.074 2.760 7.089 1.00 0.00 C ATOM 334 CD2 LEU A 287 -7.349 4.754 7.971 1.00 0.00 C ATOM 0 H LEU A 287 -4.616 1.314 10.911 1.00 0.00 H new ATOM 0 HA LEU A 287 -3.917 2.917 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 287 -6.452 2.724 9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 287 -5.782 4.297 10.168 1.00 0.00 H new ATOM 0 HG LEU A 287 -5.261 4.644 7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 287 -6.310 3.107 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 287 -5.098 2.274 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 287 -6.833 2.048 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 287 -7.523 5.068 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 287 -8.179 4.133 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 287 -7.272 5.634 8.610 1.00 0.00 H new ATOM 346 N THR A 288 -2.610 4.549 9.925 1.00 0.00 N ATOM 347 CA THR A 288 -1.673 5.364 10.707 1.00 0.00 C ATOM 348 C THR A 288 -2.129 6.791 10.766 1.00 0.00 C ATOM 349 O THR A 288 -3.142 7.186 10.193 1.00 0.00 O ATOM 350 CB THR A 288 -0.171 5.184 10.418 1.00 0.00 C ATOM 351 OG1 THR A 288 0.619 5.477 11.570 1.00 0.00 O ATOM 352 CG2 THR A 288 0.437 5.955 9.237 1.00 0.00 C ATOM 0 H THR A 288 -2.627 4.782 8.932 1.00 0.00 H new ATOM 0 HA THR A 288 -1.721 4.951 11.714 1.00 0.00 H new ATOM 0 HB THR A 288 -0.138 4.133 10.130 1.00 0.00 H new ATOM 0 HG1 THR A 288 1.567 5.352 11.357 1.00 0.00 H new ATOM 0 HG21 THR A 288 1.500 5.726 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 288 -0.064 5.662 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 288 0.307 7.026 9.396 1.00 0.00 H new ATOM 360 N ASP A 289 -1.330 7.617 11.486 1.00 0.00 N ATOM 361 CA ASP A 289 -1.457 9.050 11.761 1.00 0.00 C ATOM 362 C ASP A 289 -1.548 9.946 10.532 1.00 0.00 C ATOM 363 O ASP A 289 -2.169 11.003 10.555 1.00 0.00 O ATOM 364 CB ASP A 289 -0.193 9.504 12.540 1.00 0.00 C ATOM 365 CG ASP A 289 -0.223 8.940 13.962 1.00 0.00 C ATOM 366 OD1 ASP A 289 -1.142 9.325 14.732 1.00 0.00 O ATOM 367 OD2 ASP A 289 0.672 8.117 14.293 1.00 0.00 O ATOM 0 H ASP A 289 -0.492 7.243 11.932 1.00 0.00 H new ATOM 0 HA ASP A 289 -2.393 9.159 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 289 0.704 9.163 12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 289 -0.148 10.593 12.573 1.00 0.00 H new ATOM 372 N TYR A 290 -0.930 9.496 9.423 1.00 0.00 N ATOM 373 CA TYR A 290 -0.996 10.160 8.132 1.00 0.00 C ATOM 374 C TYR A 290 -0.711 9.178 7.034 1.00 0.00 C ATOM 375 O TYR A 290 0.026 9.412 6.079 1.00 0.00 O ATOM 376 CB TYR A 290 -0.183 11.497 7.996 1.00 0.00 C ATOM 377 CG TYR A 290 1.254 11.369 8.459 1.00 0.00 C ATOM 378 CD1 TYR A 290 1.556 11.451 9.805 1.00 0.00 C ATOM 379 CD2 TYR A 290 2.290 11.187 7.558 1.00 0.00 C ATOM 380 CE1 TYR A 290 2.852 11.315 10.255 1.00 0.00 C ATOM 381 CE2 TYR A 290 3.596 11.072 8.001 1.00 0.00 C ATOM 382 CZ TYR A 290 3.871 11.125 9.354 1.00 0.00 C ATOM 383 OH TYR A 290 5.188 11.007 9.833 1.00 0.00 O ATOM 0 H TYR A 290 -0.365 8.647 9.412 1.00 0.00 H new ATOM 0 HA TYR A 290 -2.022 10.515 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 290 -0.196 11.818 6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 290 -0.677 12.276 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 290 0.763 11.625 10.517 1.00 0.00 H new ATOM 0 HD2 TYR A 290 2.077 11.134 6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 290 3.065 11.358 11.313 1.00 0.00 H new ATOM 0 HE2 TYR A 290 4.399 10.941 7.290 1.00 0.00 H new ATOM 0 HH TYR A 290 5.800 10.875 9.079 1.00 0.00 H new ATOM 393 N GLY A 291 -1.375 8.012 7.139 1.00 0.00 N ATOM 394 CA GLY A 291 -1.308 7.044 6.064 1.00 0.00 C ATOM 395 C GLY A 291 -2.019 5.820 6.502 1.00 0.00 C ATOM 396 O GLY A 291 -2.770 5.802 7.471 1.00 0.00 O ATOM 0 H GLY A 291 -1.945 7.735 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 291 -1.765 7.447 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 291 -0.270 6.815 5.822 1.00 0.00 H new ATOM 400 N CYS A 292 -1.764 4.732 5.790 1.00 0.00 N ATOM 401 CA CYS A 292 -2.344 3.426 6.012 1.00 0.00 C ATOM 402 C CYS A 292 -1.236 2.418 5.922 1.00 0.00 C ATOM 403 O CYS A 292 -0.279 2.634 5.183 1.00 0.00 O ATOM 404 CB CYS A 292 -3.466 3.237 4.940 1.00 0.00 C ATOM 405 SG CYS A 292 -4.006 1.564 4.405 1.00 0.00 S ATOM 0 H CYS A 292 -1.114 4.742 5.004 1.00 0.00 H new ATOM 0 HA CYS A 292 -2.804 3.306 6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 292 -4.351 3.752 5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 292 -3.142 3.767 4.045 1.00 0.00 H new ATOM 0 HG CYS A 292 -5.185 1.641 3.864 1.00 0.00 H new ATOM 411 N PHE A 293 -1.336 1.256 6.630 1.00 0.00 N ATOM 412 CA PHE A 293 -0.327 0.206 6.404 1.00 0.00 C ATOM 413 C PHE A 293 -0.976 -0.873 5.603 1.00 0.00 C ATOM 414 O PHE A 293 -2.106 -1.306 5.872 1.00 0.00 O ATOM 415 CB PHE A 293 0.421 -0.470 7.573 1.00 0.00 C ATOM 416 CG PHE A 293 1.052 0.535 8.484 1.00 0.00 C ATOM 417 CD1 PHE A 293 2.200 1.190 8.072 1.00 0.00 C ATOM 418 CD2 PHE A 293 0.550 0.785 9.746 1.00 0.00 C ATOM 419 CE1 PHE A 293 2.834 2.089 8.906 1.00 0.00 C ATOM 420 CE2 PHE A 293 1.173 1.695 10.577 1.00 0.00 C ATOM 421 CZ PHE A 293 2.316 2.347 10.158 1.00 0.00 C ATOM 0 H PHE A 293 -2.059 1.040 7.316 1.00 0.00 H new ATOM 0 HA PHE A 293 0.475 0.773 5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -0.274 -1.089 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 293 1.189 -1.135 7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 293 2.603 0.996 7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -0.334 0.266 10.085 1.00 0.00 H new ATOM 0 HE1 PHE A 293 3.734 2.589 8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 293 0.766 1.897 11.557 1.00 0.00 H new ATOM 0 HZ PHE A 293 2.803 3.057 10.809 1.00 0.00 H new ATOM 431 N VAL A 294 -0.189 -1.315 4.613 1.00 0.00 N ATOM 432 CA VAL A 294 -0.569 -2.295 3.627 1.00 0.00 C ATOM 433 C VAL A 294 0.375 -3.418 3.775 1.00 0.00 C ATOM 434 O VAL A 294 1.578 -3.241 3.885 1.00 0.00 O ATOM 435 CB VAL A 294 -0.554 -1.678 2.233 1.00 0.00 C ATOM 436 CG1 VAL A 294 -0.387 -2.676 1.068 1.00 0.00 C ATOM 437 CG2 VAL A 294 -1.927 -1.008 2.101 1.00 0.00 C ATOM 0 H VAL A 294 0.765 -0.977 4.486 1.00 0.00 H new ATOM 0 HA VAL A 294 -1.588 -2.655 3.772 1.00 0.00 H new ATOM 0 HB VAL A 294 0.307 -1.014 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 294 -0.389 -2.135 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 294 0.557 -3.210 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 294 -1.211 -3.390 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 294 -2.008 -0.534 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -2.710 -1.759 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 294 -2.040 -0.254 2.880 1.00 0.00 H new ATOM 447 N GLU A 295 -0.137 -4.647 3.773 1.00 0.00 N ATOM 448 CA GLU A 295 0.744 -5.817 3.828 1.00 0.00 C ATOM 449 C GLU A 295 0.968 -6.470 2.464 1.00 0.00 C ATOM 450 O GLU A 295 0.024 -6.776 1.730 1.00 0.00 O ATOM 451 CB GLU A 295 0.314 -6.844 4.900 1.00 0.00 C ATOM 452 CG GLU A 295 1.385 -7.932 5.146 1.00 0.00 C ATOM 453 CD GLU A 295 1.094 -8.762 6.397 1.00 0.00 C ATOM 454 OE1 GLU A 295 0.048 -8.529 7.058 1.00 0.00 O ATOM 455 OE2 GLU A 295 1.932 -9.653 6.705 1.00 0.00 O ATOM 0 H GLU A 295 -1.134 -4.859 3.735 1.00 0.00 H new ATOM 0 HA GLU A 295 1.713 -5.429 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 295 0.109 -6.323 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 295 -0.617 -7.319 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 295 1.436 -8.591 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 295 2.363 -7.460 5.245 1.00 0.00 H new ATOM 462 N ILE A 296 2.262 -6.688 2.099 1.00 0.00 N ATOM 463 CA ILE A 296 2.635 -7.399 0.852 1.00 0.00 C ATOM 464 C ILE A 296 2.581 -8.933 0.969 1.00 0.00 C ATOM 465 O ILE A 296 1.529 -9.570 0.956 1.00 0.00 O ATOM 466 CB ILE A 296 3.893 -6.804 0.185 1.00 0.00 C ATOM 467 CG1 ILE A 296 3.757 -5.265 0.081 1.00 0.00 C ATOM 468 CG2 ILE A 296 4.133 -7.371 -1.242 1.00 0.00 C ATOM 469 CD1 ILE A 296 2.533 -4.792 -0.716 1.00 0.00 C ATOM 0 H ILE A 296 3.061 -6.380 2.653 1.00 0.00 H new ATOM 0 HA ILE A 296 1.845 -7.202 0.128 1.00 0.00 H new ATOM 0 HB ILE A 296 4.741 -7.080 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 296 3.705 -4.848 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 296 4.657 -4.863 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 296 5.030 -6.920 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 296 4.261 -8.452 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 296 3.276 -7.139 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 296 2.513 -3.702 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 296 2.591 -5.176 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 296 1.624 -5.161 -0.240 1.00 0.00 H new ATOM 481 N GLU A 297 3.771 -9.519 1.084 1.00 0.00 N ATOM 482 CA GLU A 297 4.092 -10.928 1.270 1.00 0.00 C ATOM 483 C GLU A 297 4.569 -11.082 2.688 1.00 0.00 C ATOM 484 O GLU A 297 4.820 -10.111 3.397 1.00 0.00 O ATOM 485 CB GLU A 297 5.169 -11.421 0.262 1.00 0.00 C ATOM 486 CG GLU A 297 4.636 -11.487 -1.182 1.00 0.00 C ATOM 487 CD GLU A 297 5.755 -11.923 -2.127 1.00 0.00 C ATOM 488 OE1 GLU A 297 6.753 -11.164 -2.250 1.00 0.00 O ATOM 489 OE2 GLU A 297 5.625 -13.016 -2.740 1.00 0.00 O ATOM 0 H GLU A 297 4.621 -8.957 1.045 1.00 0.00 H new ATOM 0 HA GLU A 297 3.210 -11.540 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 297 6.030 -10.753 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 297 5.519 -12.409 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 297 3.804 -12.189 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 297 4.253 -10.512 -1.483 1.00 0.00 H new ATOM 496 N GLU A 298 4.727 -12.334 3.172 1.00 0.00 N ATOM 497 CA GLU A 298 5.150 -12.616 4.548 1.00 0.00 C ATOM 498 C GLU A 298 6.570 -12.095 4.908 1.00 0.00 C ATOM 499 O GLU A 298 7.563 -12.445 4.276 1.00 0.00 O ATOM 500 CB GLU A 298 5.090 -14.145 4.817 1.00 0.00 C ATOM 501 CG GLU A 298 3.687 -14.737 4.585 1.00 0.00 C ATOM 502 CD GLU A 298 3.687 -16.223 4.940 1.00 0.00 C ATOM 503 OE1 GLU A 298 4.420 -16.994 4.266 1.00 0.00 O ATOM 504 OE2 GLU A 298 2.952 -16.608 5.889 1.00 0.00 O ATOM 0 H GLU A 298 4.563 -13.172 2.614 1.00 0.00 H new ATOM 0 HA GLU A 298 4.451 -12.072 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 298 5.805 -14.652 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 298 5.397 -14.341 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 298 2.954 -14.208 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 298 3.393 -14.602 3.544 1.00 0.00 H new ATOM 511 N GLY A 299 6.653 -11.184 5.926 1.00 0.00 N ATOM 512 CA GLY A 299 7.852 -10.455 6.368 1.00 0.00 C ATOM 513 C GLY A 299 8.107 -9.133 5.676 1.00 0.00 C ATOM 514 O GLY A 299 9.011 -8.376 6.011 1.00 0.00 O ATOM 0 H GLY A 299 5.833 -10.936 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 299 7.770 -10.274 7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 299 8.721 -11.096 6.219 1.00 0.00 H new ATOM 518 N VAL A 300 7.271 -8.863 4.661 1.00 0.00 N ATOM 519 CA VAL A 300 7.287 -7.689 3.785 1.00 0.00 C ATOM 520 C VAL A 300 6.006 -6.873 3.948 1.00 0.00 C ATOM 521 O VAL A 300 4.918 -7.286 3.549 1.00 0.00 O ATOM 522 CB VAL A 300 7.462 -8.085 2.306 1.00 0.00 C ATOM 523 CG1 VAL A 300 7.708 -6.841 1.426 1.00 0.00 C ATOM 524 CG2 VAL A 300 8.652 -9.057 2.148 1.00 0.00 C ATOM 0 H VAL A 300 6.517 -9.505 4.417 1.00 0.00 H new ATOM 0 HA VAL A 300 8.141 -7.080 4.081 1.00 0.00 H new ATOM 0 HB VAL A 300 6.543 -8.573 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 300 7.828 -7.148 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.858 -6.163 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 300 8.612 -6.332 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 300 8.763 -9.328 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 300 9.565 -8.574 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 300 8.469 -9.956 2.737 1.00 0.00 H new ATOM 534 N GLU A 301 6.066 -5.633 4.482 1.00 0.00 N ATOM 535 CA GLU A 301 4.869 -4.821 4.588 1.00 0.00 C ATOM 536 C GLU A 301 5.242 -3.442 4.148 1.00 0.00 C ATOM 537 O GLU A 301 6.402 -3.024 4.170 1.00 0.00 O ATOM 538 CB GLU A 301 4.199 -4.857 5.995 1.00 0.00 C ATOM 539 CG GLU A 301 5.150 -4.579 7.172 1.00 0.00 C ATOM 540 CD GLU A 301 4.363 -4.644 8.480 1.00 0.00 C ATOM 541 OE1 GLU A 301 3.840 -5.744 8.804 1.00 0.00 O ATOM 542 OE2 GLU A 301 4.274 -3.596 9.173 1.00 0.00 O ATOM 0 H GLU A 301 6.917 -5.195 4.834 1.00 0.00 H new ATOM 0 HA GLU A 301 4.092 -5.230 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.393 -4.123 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.742 -5.836 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 301 5.958 -5.311 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.610 -3.597 7.059 1.00 0.00 H new ATOM 549 N GLY A 302 4.204 -2.691 3.732 1.00 0.00 N ATOM 550 CA GLY A 302 4.344 -1.281 3.354 1.00 0.00 C ATOM 551 C GLY A 302 3.424 -0.322 4.049 1.00 0.00 C ATOM 552 O GLY A 302 2.548 -0.655 4.842 1.00 0.00 O ATOM 0 H GLY A 302 3.252 -3.047 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.372 -0.973 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 302 4.183 -1.195 2.279 1.00 0.00 H new ATOM 556 N LEU A 303 3.681 0.966 3.761 1.00 0.00 N ATOM 557 CA LEU A 303 2.925 2.122 4.254 1.00 0.00 C ATOM 558 C LEU A 303 2.469 2.910 3.071 1.00 0.00 C ATOM 559 O LEU A 303 3.292 3.386 2.283 1.00 0.00 O ATOM 560 CB LEU A 303 3.791 3.128 5.109 1.00 0.00 C ATOM 561 CG LEU A 303 3.367 4.642 5.222 1.00 0.00 C ATOM 562 CD1 LEU A 303 2.080 4.840 6.032 1.00 0.00 C ATOM 563 CD2 LEU A 303 4.491 5.458 5.891 1.00 0.00 C ATOM 0 H LEU A 303 4.454 1.237 3.153 1.00 0.00 H new ATOM 0 HA LEU A 303 2.123 1.723 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 303 3.842 2.730 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 303 4.804 3.105 4.707 1.00 0.00 H new ATOM 0 HG LEU A 303 3.185 4.987 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 303 1.837 5.902 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 303 1.262 4.300 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 303 2.224 4.459 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 303 4.188 6.503 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 303 4.681 5.064 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 303 5.399 5.385 5.293 1.00 0.00 H new ATOM 575 N VAL A 304 1.135 3.145 2.997 1.00 0.00 N ATOM 576 CA VAL A 304 0.471 3.982 2.019 1.00 0.00 C ATOM 577 C VAL A 304 0.452 5.372 2.550 1.00 0.00 C ATOM 578 O VAL A 304 -0.255 5.660 3.517 1.00 0.00 O ATOM 579 CB VAL A 304 -0.965 3.566 1.727 1.00 0.00 C ATOM 580 CG1 VAL A 304 -1.605 4.430 0.607 1.00 0.00 C ATOM 581 CG2 VAL A 304 -0.916 2.087 1.352 1.00 0.00 C ATOM 0 H VAL A 304 0.480 2.727 3.658 1.00 0.00 H new ATOM 0 HA VAL A 304 1.024 3.890 1.084 1.00 0.00 H new ATOM 0 HB VAL A 304 -1.598 3.723 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -2.628 4.099 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -1.610 5.476 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -1.027 4.323 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -1.923 1.734 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -0.285 1.955 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -0.505 1.514 2.183 1.00 0.00 H new ATOM 591 N HIS A 305 1.237 6.269 1.904 1.00 0.00 N ATOM 592 CA HIS A 305 1.285 7.683 2.254 1.00 0.00 C ATOM 593 C HIS A 305 0.059 8.374 1.652 1.00 0.00 C ATOM 594 O HIS A 305 -0.075 8.421 0.433 1.00 0.00 O ATOM 595 CB HIS A 305 2.622 8.291 1.743 1.00 0.00 C ATOM 596 CG HIS A 305 2.842 9.754 2.042 1.00 0.00 C ATOM 597 ND1 HIS A 305 2.546 10.770 1.157 1.00 0.00 N ATOM 598 CD2 HIS A 305 3.355 10.365 3.146 1.00 0.00 C ATOM 599 CE1 HIS A 305 2.885 11.935 1.763 1.00 0.00 C ATOM 600 NE2 HIS A 305 3.378 11.737 2.968 1.00 0.00 N ATOM 0 H HIS A 305 1.849 6.018 1.128 1.00 0.00 H new ATOM 0 HA HIS A 305 1.256 7.826 3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 305 3.445 7.724 2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 305 2.673 8.150 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 305 3.695 9.852 4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 305 2.765 12.909 1.311 1.00 0.00 H new ATOM 0 HE2 HIS A 305 3.706 12.443 3.628 1.00 0.00 H new ATOM 608 N VAL A 306 -0.864 8.904 2.519 1.00 0.00 N ATOM 609 CA VAL A 306 -2.181 9.545 2.265 1.00 0.00 C ATOM 610 C VAL A 306 -2.353 10.427 1.027 1.00 0.00 C ATOM 611 O VAL A 306 -3.386 10.444 0.364 1.00 0.00 O ATOM 612 CB VAL A 306 -2.677 10.275 3.531 1.00 0.00 C ATOM 613 CG1 VAL A 306 -1.595 11.203 4.119 1.00 0.00 C ATOM 614 CG2 VAL A 306 -3.996 11.063 3.333 1.00 0.00 C ATOM 0 H VAL A 306 -0.673 8.885 3.521 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.807 8.689 2.013 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.892 9.476 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -1.984 11.698 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -0.717 10.615 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -1.318 11.953 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.275 11.546 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -3.855 11.820 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.787 10.378 3.028 1.00 0.00 H new ATOM 866 N VAL A 322 -11.671 1.414 1.806 1.00 0.00 N ATOM 867 CA VAL A 322 -10.408 0.827 2.225 1.00 0.00 C ATOM 868 C VAL A 322 -10.535 0.576 3.722 1.00 0.00 C ATOM 869 O VAL A 322 -10.423 1.456 4.571 1.00 0.00 O ATOM 870 CB VAL A 322 -9.154 1.599 1.759 1.00 0.00 C ATOM 871 CG1 VAL A 322 -7.928 1.210 2.640 1.00 0.00 C ATOM 872 CG2 VAL A 322 -8.877 1.191 0.288 1.00 0.00 C ATOM 0 HA VAL A 322 -10.228 -0.122 1.720 1.00 0.00 H new ATOM 0 HB VAL A 322 -9.316 2.673 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -7.049 1.760 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -8.135 1.458 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -7.742 0.140 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -7.995 1.718 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -8.704 0.116 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -9.736 1.451 -0.330 1.00 0.00 H new ATOM 882 N ASN A 323 -10.814 -0.706 4.015 1.00 0.00 N ATOM 883 CA ASN A 323 -11.036 -1.301 5.312 1.00 0.00 C ATOM 884 C ASN A 323 -9.901 -2.241 5.523 1.00 0.00 C ATOM 885 O ASN A 323 -9.247 -2.710 4.593 1.00 0.00 O ATOM 886 CB ASN A 323 -12.343 -2.161 5.344 1.00 0.00 C ATOM 887 CG ASN A 323 -13.596 -1.290 5.363 1.00 0.00 C ATOM 888 OD1 ASN A 323 -13.604 -0.110 5.023 1.00 0.00 O ATOM 889 ND2 ASN A 323 -14.730 -1.905 5.787 1.00 0.00 N ATOM 0 H ASN A 323 -10.893 -1.401 3.272 1.00 0.00 H new ATOM 0 HA ASN A 323 -11.119 -0.516 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -12.369 -2.815 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -12.334 -2.803 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -15.607 -1.386 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -14.705 -2.886 6.066 1.00 0.00 H new ATOM 896 N VAL A 324 -9.732 -2.616 6.808 1.00 0.00 N ATOM 897 CA VAL A 324 -8.807 -3.643 7.294 1.00 0.00 C ATOM 898 C VAL A 324 -9.232 -5.015 6.749 1.00 0.00 C ATOM 899 O VAL A 324 -10.352 -5.476 6.957 1.00 0.00 O ATOM 900 CB VAL A 324 -8.789 -3.650 8.833 1.00 0.00 C ATOM 901 CG1 VAL A 324 -7.898 -4.769 9.424 1.00 0.00 C ATOM 902 CG2 VAL A 324 -8.279 -2.273 9.315 1.00 0.00 C ATOM 0 H VAL A 324 -10.265 -2.187 7.565 1.00 0.00 H new ATOM 0 HA VAL A 324 -7.799 -3.422 6.942 1.00 0.00 H new ATOM 0 HB VAL A 324 -9.803 -3.846 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 324 -7.927 -4.721 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 324 -8.267 -5.740 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 324 -6.872 -4.635 9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 324 -8.258 -2.254 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 324 -7.274 -2.102 8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 324 -8.945 -1.491 8.952 1.00 0.00 H new ATOM 912 N GLY A 325 -8.304 -5.646 5.993 1.00 0.00 N ATOM 913 CA GLY A 325 -8.488 -6.906 5.281 1.00 0.00 C ATOM 914 C GLY A 325 -8.969 -6.810 3.856 1.00 0.00 C ATOM 915 O GLY A 325 -9.345 -7.807 3.258 1.00 0.00 O ATOM 0 H GLY A 325 -7.368 -5.263 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -7.539 -7.442 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.199 -7.513 5.841 1.00 0.00 H new ATOM 919 N ASP A 326 -8.925 -5.599 3.247 1.00 0.00 N ATOM 920 CA ASP A 326 -9.248 -5.326 1.834 1.00 0.00 C ATOM 921 C ASP A 326 -8.008 -5.382 0.965 1.00 0.00 C ATOM 922 O ASP A 326 -6.926 -5.007 1.419 1.00 0.00 O ATOM 923 CB ASP A 326 -10.027 -3.971 1.566 1.00 0.00 C ATOM 924 CG ASP A 326 -9.271 -2.678 1.165 1.00 0.00 C ATOM 925 OD1 ASP A 326 -8.458 -2.181 1.979 1.00 0.00 O ATOM 926 OD2 ASP A 326 -9.510 -2.194 0.026 1.00 0.00 O ATOM 0 H ASP A 326 -8.652 -4.756 3.752 1.00 0.00 H new ATOM 0 HA ASP A 326 -9.938 -6.125 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 326 -10.754 -4.172 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 326 -10.591 -3.743 2.471 1.00 0.00 H new ATOM 931 N VAL A 327 -8.146 -5.786 -0.329 1.00 0.00 N ATOM 932 CA VAL A 327 -7.049 -5.802 -1.298 1.00 0.00 C ATOM 933 C VAL A 327 -7.119 -4.564 -2.213 1.00 0.00 C ATOM 934 O VAL A 327 -8.176 -4.128 -2.692 1.00 0.00 O ATOM 935 CB VAL A 327 -6.914 -7.160 -2.024 1.00 0.00 C ATOM 936 CG1 VAL A 327 -8.273 -7.728 -2.453 1.00 0.00 C ATOM 937 CG2 VAL A 327 -5.944 -7.143 -3.226 1.00 0.00 C ATOM 0 H VAL A 327 -9.033 -6.109 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 327 -6.104 -5.716 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 327 -6.475 -7.820 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.125 -8.682 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -8.899 -7.876 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -8.761 -7.029 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -5.908 -8.134 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -6.292 -6.420 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -4.947 -6.863 -2.885 1.00 0.00 H new ATOM 947 N VAL A 328 -5.904 -3.960 -2.369 1.00 0.00 N ATOM 948 CA VAL A 328 -5.452 -2.722 -3.006 1.00 0.00 C ATOM 949 C VAL A 328 -4.215 -2.973 -3.838 1.00 0.00 C ATOM 950 O VAL A 328 -3.680 -4.070 -4.022 1.00 0.00 O ATOM 951 CB VAL A 328 -5.261 -1.533 -2.043 1.00 0.00 C ATOM 952 CG1 VAL A 328 -6.128 -0.345 -2.462 1.00 0.00 C ATOM 953 CG2 VAL A 328 -5.584 -1.937 -0.597 1.00 0.00 C ATOM 0 H VAL A 328 -5.091 -4.432 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.266 -2.413 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 328 -4.214 -1.234 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.975 0.480 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.850 -0.029 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.178 -0.639 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -5.441 -1.080 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -6.619 -2.273 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -4.921 -2.746 -0.288 1.00 0.00 H new ATOM 963 N GLU A 329 -3.782 -1.839 -4.406 1.00 0.00 N ATOM 964 CA GLU A 329 -2.649 -1.633 -5.264 1.00 0.00 C ATOM 965 C GLU A 329 -1.904 -0.516 -4.609 1.00 0.00 C ATOM 966 O GLU A 329 -2.533 0.341 -3.977 1.00 0.00 O ATOM 967 CB GLU A 329 -3.219 -1.248 -6.649 1.00 0.00 C ATOM 968 CG GLU A 329 -2.191 -1.227 -7.791 1.00 0.00 C ATOM 969 CD GLU A 329 -2.916 -0.951 -9.107 1.00 0.00 C ATOM 970 OE1 GLU A 329 -3.709 -1.830 -9.539 1.00 0.00 O ATOM 971 OE2 GLU A 329 -2.690 0.139 -9.697 1.00 0.00 O ATOM 0 H GLU A 329 -4.282 -0.964 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 329 -1.988 -2.489 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -4.012 -1.950 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -3.678 -0.262 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.439 -0.459 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.666 -2.181 -7.843 1.00 0.00 H new ATOM 978 N VAL A 330 -0.555 -0.521 -4.716 1.00 0.00 N ATOM 979 CA VAL A 330 0.283 0.475 -4.055 1.00 0.00 C ATOM 980 C VAL A 330 1.429 0.672 -4.989 1.00 0.00 C ATOM 981 O VAL A 330 1.646 -0.114 -5.890 1.00 0.00 O ATOM 982 CB VAL A 330 0.698 -0.022 -2.667 1.00 0.00 C ATOM 983 CG1 VAL A 330 -0.421 0.232 -1.642 1.00 0.00 C ATOM 984 CG2 VAL A 330 1.035 -1.525 -2.701 1.00 0.00 C ATOM 0 H VAL A 330 -0.034 -1.210 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 330 -0.221 1.423 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 330 1.587 0.533 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 330 -0.106 -0.128 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 330 -0.628 1.301 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 330 -1.323 -0.296 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 330 1.327 -1.855 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 330 0.160 -2.087 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 330 1.857 -1.698 -3.396 1.00 0.00 H new ATOM 994 N MET A 331 2.200 1.754 -4.847 1.00 0.00 N ATOM 995 CA MET A 331 3.357 2.006 -5.685 1.00 0.00 C ATOM 996 C MET A 331 4.494 2.230 -4.749 1.00 0.00 C ATOM 997 O MET A 331 4.334 2.886 -3.732 1.00 0.00 O ATOM 998 CB MET A 331 3.140 3.245 -6.592 1.00 0.00 C ATOM 999 CG MET A 331 4.248 3.491 -7.625 1.00 0.00 C ATOM 1000 SD MET A 331 3.836 4.749 -8.870 1.00 0.00 S ATOM 1001 CE MET A 331 3.890 6.203 -7.782 1.00 0.00 C ATOM 0 H MET A 331 2.033 2.475 -4.145 1.00 0.00 H new ATOM 0 HA MET A 331 3.545 1.168 -6.356 1.00 0.00 H new ATOM 0 HB2 MET A 331 2.192 3.131 -7.118 1.00 0.00 H new ATOM 0 HB3 MET A 331 3.050 4.129 -5.960 1.00 0.00 H new ATOM 0 HG2 MET A 331 5.155 3.795 -7.103 1.00 0.00 H new ATOM 0 HG3 MET A 331 4.472 2.553 -8.132 1.00 0.00 H new ATOM 0 HE1 MET A 331 3.821 7.110 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 331 3.054 6.166 -7.083 1.00 0.00 H new ATOM 0 HE3 MET A 331 4.828 6.207 -7.226 1.00 0.00 H new ATOM 1011 N VAL A 332 5.674 1.640 -5.019 1.00 0.00 N ATOM 1012 CA VAL A 332 6.774 1.597 -4.031 1.00 0.00 C ATOM 1013 C VAL A 332 7.514 2.875 -3.784 1.00 0.00 C ATOM 1014 O VAL A 332 7.940 3.517 -4.735 1.00 0.00 O ATOM 1015 CB VAL A 332 7.804 0.530 -4.491 1.00 0.00 C ATOM 1016 CG1 VAL A 332 9.172 0.529 -3.760 1.00 0.00 C ATOM 1017 CG2 VAL A 332 7.125 -0.845 -4.410 1.00 0.00 C ATOM 0 H VAL A 332 5.891 1.188 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 332 6.284 1.366 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 332 8.082 0.790 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 332 9.803 -0.260 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 332 9.660 1.494 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 332 9.016 0.352 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 332 7.826 -1.616 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 332 6.815 -1.038 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 332 6.251 -0.858 -5.061 1.00 0.00 H new ATOM 1027 N LEU A 333 7.734 3.255 -2.493 1.00 0.00 N ATOM 1028 CA LEU A 333 8.539 4.353 -2.100 1.00 0.00 C ATOM 1029 C LEU A 333 9.518 3.584 -1.191 1.00 0.00 C ATOM 1030 O LEU A 333 9.978 2.482 -1.455 1.00 0.00 O ATOM 1031 CB LEU A 333 7.826 5.601 -1.438 1.00 0.00 C ATOM 1032 CG LEU A 333 6.552 6.254 -2.085 1.00 0.00 C ATOM 1033 CD1 LEU A 333 6.611 6.555 -3.592 1.00 0.00 C ATOM 1034 CD2 LEU A 333 5.227 5.540 -1.739 1.00 0.00 C ATOM 0 H LEU A 333 7.323 2.761 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 333 8.976 4.905 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 333 7.553 5.309 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 333 8.577 6.387 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 333 6.564 7.227 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 333 5.670 7.003 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 333 7.429 7.247 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 333 6.776 5.628 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 333 4.398 6.055 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 333 5.268 4.508 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 333 5.078 5.553 -0.659 1.00 0.00 H new ATOM 1046 N ASP A 334 9.850 4.111 -0.032 1.00 0.00 N ATOM 1047 CA ASP A 334 11.076 3.808 0.728 1.00 0.00 C ATOM 1048 C ASP A 334 11.390 2.432 1.284 1.00 0.00 C ATOM 1049 O ASP A 334 10.753 1.938 2.202 1.00 0.00 O ATOM 1050 CB ASP A 334 11.374 4.933 1.771 1.00 0.00 C ATOM 1051 CG ASP A 334 12.876 5.133 2.033 1.00 0.00 C ATOM 1052 OD1 ASP A 334 13.602 5.479 1.063 1.00 0.00 O ATOM 1053 OD2 ASP A 334 13.311 4.940 3.199 1.00 0.00 O ATOM 0 H ASP A 334 9.257 4.794 0.439 1.00 0.00 H new ATOM 0 HA ASP A 334 11.776 3.778 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 334 10.945 5.871 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 334 10.877 4.690 2.710 1.00 0.00 H new ATOM 1058 N ILE A 335 12.441 1.800 0.710 1.00 0.00 N ATOM 1059 CA ILE A 335 12.905 0.472 1.021 1.00 0.00 C ATOM 1060 C ILE A 335 14.132 0.510 1.912 1.00 0.00 C ATOM 1061 O ILE A 335 15.103 1.222 1.664 1.00 0.00 O ATOM 1062 CB ILE A 335 12.929 -0.451 -0.225 1.00 0.00 C ATOM 1063 CG1 ILE A 335 13.254 -1.936 0.110 1.00 0.00 C ATOM 1064 CG2 ILE A 335 13.749 0.156 -1.378 1.00 0.00 C ATOM 1065 CD1 ILE A 335 14.709 -2.251 0.337 1.00 0.00 C ATOM 0 H ILE A 335 13.001 2.245 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 335 12.175 -0.039 1.649 1.00 0.00 H new ATOM 0 HB ILE A 335 11.908 -0.501 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 335 12.697 -2.218 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 335 12.889 -2.561 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 335 13.738 -0.524 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 335 13.313 1.111 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 335 14.777 0.312 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 335 14.821 -3.311 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 335 15.278 -2.009 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 335 15.083 -1.661 1.174 1.00 0.00 H new ATOM 1077 N ASP A 336 14.122 -0.387 2.931 1.00 0.00 N ATOM 1078 CA ASP A 336 15.287 -0.702 3.728 1.00 0.00 C ATOM 1079 C ASP A 336 15.241 -2.200 3.949 1.00 0.00 C ATOM 1080 O ASP A 336 14.482 -2.682 4.783 1.00 0.00 O ATOM 1081 CB ASP A 336 15.314 0.125 5.049 1.00 0.00 C ATOM 1082 CG ASP A 336 16.746 0.483 5.460 1.00 0.00 C ATOM 1083 OD1 ASP A 336 17.490 1.022 4.596 1.00 0.00 O ATOM 1084 OD2 ASP A 336 17.108 0.246 6.641 1.00 0.00 O ATOM 0 H ASP A 336 13.288 -0.904 3.207 1.00 0.00 H new ATOM 0 HA ASP A 336 16.215 -0.429 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 336 14.733 1.038 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 336 14.838 -0.446 5.846 1.00 0.00 H new ATOM 1089 N GLU A 337 16.084 -2.990 3.196 1.00 0.00 N ATOM 1090 CA GLU A 337 16.209 -4.480 3.171 1.00 0.00 C ATOM 1091 C GLU A 337 16.662 -5.079 4.490 1.00 0.00 C ATOM 1092 O GLU A 337 16.519 -6.260 4.787 1.00 0.00 O ATOM 1093 CB GLU A 337 17.190 -5.078 2.096 1.00 0.00 C ATOM 1094 CG GLU A 337 17.080 -4.526 0.674 1.00 0.00 C ATOM 1095 CD GLU A 337 18.084 -5.226 -0.244 1.00 0.00 C ATOM 1096 OE1 GLU A 337 17.918 -6.455 -0.472 1.00 0.00 O ATOM 1097 OE2 GLU A 337 19.026 -4.545 -0.730 1.00 0.00 O ATOM 0 H GLU A 337 16.740 -2.560 2.544 1.00 0.00 H new ATOM 0 HA GLU A 337 15.183 -4.751 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 337 18.211 -4.919 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 337 17.031 -6.156 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.068 -4.672 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.267 -3.452 0.678 1.00 0.00 H new ATOM 1104 N GLU A 338 17.232 -4.158 5.285 1.00 0.00 N ATOM 1105 CA GLU A 338 17.771 -4.210 6.612 1.00 0.00 C ATOM 1106 C GLU A 338 16.688 -4.236 7.684 1.00 0.00 C ATOM 1107 O GLU A 338 16.849 -4.826 8.747 1.00 0.00 O ATOM 1108 CB GLU A 338 18.579 -2.896 6.731 1.00 0.00 C ATOM 1109 CG GLU A 338 19.697 -2.798 5.674 1.00 0.00 C ATOM 1110 CD GLU A 338 20.602 -1.604 5.966 1.00 0.00 C ATOM 1111 OE1 GLU A 338 20.102 -0.449 5.900 1.00 0.00 O ATOM 1112 OE2 GLU A 338 21.810 -1.829 6.250 1.00 0.00 O ATOM 0 H GLU A 338 17.329 -3.208 4.925 1.00 0.00 H new ATOM 0 HA GLU A 338 18.359 -5.115 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 338 17.905 -2.047 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 338 19.017 -2.831 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 338 20.285 -3.716 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 338 19.259 -2.697 4.681 1.00 0.00 H new ATOM 1119 N ARG A 339 15.550 -3.556 7.400 1.00 0.00 N ATOM 1120 CA ARG A 339 14.410 -3.435 8.317 1.00 0.00 C ATOM 1121 C ARG A 339 13.210 -4.237 7.858 1.00 0.00 C ATOM 1122 O ARG A 339 12.390 -4.726 8.634 1.00 0.00 O ATOM 1123 CB ARG A 339 14.034 -1.941 8.518 1.00 0.00 C ATOM 1124 CG ARG A 339 15.102 -1.145 9.297 1.00 0.00 C ATOM 1125 CD ARG A 339 14.965 0.376 9.147 1.00 0.00 C ATOM 1126 NE ARG A 339 13.624 0.817 9.669 1.00 0.00 N ATOM 1127 CZ ARG A 339 13.081 2.045 9.401 1.00 0.00 C ATOM 1128 NH1 ARG A 339 13.753 2.958 8.641 1.00 0.00 N ATOM 1129 NH2 ARG A 339 11.843 2.354 9.887 1.00 0.00 N ATOM 0 H ARG A 339 15.405 -3.073 6.513 1.00 0.00 H new ATOM 0 HA ARG A 339 14.719 -3.854 9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 339 13.883 -1.477 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 339 13.085 -1.880 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 339 15.038 -1.405 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 339 16.091 -1.448 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 339 15.763 0.879 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 339 15.070 0.659 8.100 1.00 0.00 H new ATOM 0 HE ARG A 339 13.093 0.169 10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 339 14.673 2.730 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 339 13.335 3.869 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 339 11.330 1.672 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 339 11.432 3.267 9.692 1.00 0.00 H new ATOM 1143 N ARG A 340 13.108 -4.334 6.525 1.00 0.00 N ATOM 1144 CA ARG A 340 12.092 -4.960 5.688 1.00 0.00 C ATOM 1145 C ARG A 340 10.811 -4.161 5.612 1.00 0.00 C ATOM 1146 O ARG A 340 9.685 -4.623 5.796 1.00 0.00 O ATOM 1147 CB ARG A 340 11.871 -6.483 5.889 1.00 0.00 C ATOM 1148 CG ARG A 340 13.168 -7.309 5.814 1.00 0.00 C ATOM 1149 CD ARG A 340 12.926 -8.826 5.802 1.00 0.00 C ATOM 1150 NE ARG A 340 12.332 -9.216 4.473 1.00 0.00 N ATOM 1151 CZ ARG A 340 11.866 -10.476 4.204 1.00 0.00 C ATOM 1152 NH1 ARG A 340 11.819 -11.429 5.180 1.00 0.00 N ATOM 1153 NH2 ARG A 340 11.447 -10.783 2.942 1.00 0.00 N ATOM 0 H ARG A 340 13.834 -3.919 5.940 1.00 0.00 H new ATOM 0 HA ARG A 340 12.537 -4.925 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 340 11.400 -6.649 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 340 11.176 -6.844 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 340 13.717 -7.029 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 340 13.801 -7.056 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 340 13.863 -9.358 5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 340 12.253 -9.107 6.612 1.00 0.00 H new ATOM 0 HE ARG A 340 12.274 -8.509 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 340 12.133 -11.207 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 340 11.469 -12.363 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 340 11.482 -10.077 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 340 11.099 -11.719 2.734 1.00 0.00 H new ATOM 1167 N ARG A 341 11.046 -2.873 5.299 1.00 0.00 N ATOM 1168 CA ARG A 341 10.030 -1.866 5.117 1.00 0.00 C ATOM 1169 C ARG A 341 10.287 -1.306 3.746 1.00 0.00 C ATOM 1170 O ARG A 341 11.404 -0.932 3.424 1.00 0.00 O ATOM 1171 CB ARG A 341 9.994 -0.839 6.281 1.00 0.00 C ATOM 1172 CG ARG A 341 11.283 -0.030 6.568 1.00 0.00 C ATOM 1173 CD ARG A 341 11.442 1.317 5.832 1.00 0.00 C ATOM 1174 NE ARG A 341 10.204 2.147 6.045 1.00 0.00 N ATOM 1175 CZ ARG A 341 10.143 3.493 5.805 1.00 0.00 C ATOM 1176 NH1 ARG A 341 11.259 4.194 5.457 1.00 0.00 N ATOM 1177 NH2 ARG A 341 8.946 4.141 5.921 1.00 0.00 N ATOM 0 H ARG A 341 11.990 -2.510 5.165 1.00 0.00 H new ATOM 0 HA ARG A 341 9.017 -2.265 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 341 9.191 -0.130 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 341 9.724 -1.374 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 341 11.331 0.162 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 341 12.139 -0.656 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 341 12.318 1.847 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 341 11.601 1.147 4.767 1.00 0.00 H new ATOM 0 HE ARG A 341 9.364 1.680 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 341 12.156 3.716 5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 341 11.197 5.197 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 341 8.108 3.622 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 341 8.890 5.144 5.744 1.00 0.00 H new ATOM 1191 N ILE A 342 9.249 -1.318 2.885 1.00 0.00 N ATOM 1192 CA ILE A 342 9.160 -0.874 1.490 1.00 0.00 C ATOM 1193 C ILE A 342 8.117 0.146 1.648 1.00 0.00 C ATOM 1194 O ILE A 342 7.124 -0.204 2.288 1.00 0.00 O ATOM 1195 CB ILE A 342 8.616 -1.986 0.574 1.00 0.00 C ATOM 1196 CG1 ILE A 342 9.011 -3.446 0.934 1.00 0.00 C ATOM 1197 CG2 ILE A 342 8.836 -1.556 -0.886 1.00 0.00 C ATOM 1198 CD1 ILE A 342 10.483 -3.811 1.104 1.00 0.00 C ATOM 0 H ILE A 342 8.349 -1.684 3.194 1.00 0.00 H new ATOM 0 HA ILE A 342 10.108 -0.562 1.052 1.00 0.00 H new ATOM 0 HB ILE A 342 7.544 -2.075 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 342 8.503 -3.701 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 342 8.602 -4.094 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 342 8.458 -2.330 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 342 8.305 -0.623 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 342 9.901 -1.410 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 342 10.569 -4.869 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 342 11.017 -3.612 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 342 10.916 -3.213 1.906 1.00 0.00 H new ATOM 1210 N SER A 343 8.219 1.432 1.165 1.00 0.00 N ATOM 1211 CA SER A 343 7.085 2.262 1.661 1.00 0.00 C ATOM 1212 C SER A 343 6.157 2.345 0.505 1.00 0.00 C ATOM 1213 O SER A 343 6.307 3.219 -0.311 1.00 0.00 O ATOM 1214 CB SER A 343 7.549 3.672 2.129 1.00 0.00 C ATOM 1215 OG SER A 343 6.633 4.339 3.000 1.00 0.00 O ATOM 0 H SER A 343 8.924 1.848 0.556 1.00 0.00 H new ATOM 0 HA SER A 343 6.614 1.823 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 343 8.508 3.575 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 343 7.715 4.296 1.251 1.00 0.00 H new ATOM 0 HG SER A 343 6.997 5.214 3.249 1.00 0.00 H new ATOM 1221 N LEU A 344 5.159 1.451 0.370 1.00 0.00 N ATOM 1222 CA LEU A 344 4.392 1.493 -0.860 1.00 0.00 C ATOM 1223 C LEU A 344 3.055 2.133 -0.646 1.00 0.00 C ATOM 1224 O LEU A 344 2.292 1.817 0.258 1.00 0.00 O ATOM 1225 CB LEU A 344 4.317 0.087 -1.543 1.00 0.00 C ATOM 1226 CG LEU A 344 3.898 -1.194 -0.773 1.00 0.00 C ATOM 1227 CD1 LEU A 344 5.134 -1.875 -0.183 1.00 0.00 C ATOM 1228 CD2 LEU A 344 2.833 -1.045 0.315 1.00 0.00 C ATOM 0 H LEU A 344 4.888 0.743 1.052 1.00 0.00 H new ATOM 0 HA LEU A 344 4.918 2.132 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.629 0.185 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 344 5.304 -0.110 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 344 3.412 -1.801 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.832 -2.773 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.818 -2.147 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.634 -1.191 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 344 2.638 -2.017 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 344 3.187 -0.352 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 344 1.914 -0.660 -0.126 1.00 0.00 H new ATOM 1240 N GLY A 345 2.694 3.003 -1.597 1.00 0.00 N ATOM 1241 CA GLY A 345 1.450 3.754 -1.502 1.00 0.00 C ATOM 1242 C GLY A 345 0.867 4.017 -2.856 1.00 0.00 C ATOM 1243 O GLY A 345 1.504 4.581 -3.729 1.00 0.00 O ATOM 0 H GLY A 345 3.245 3.199 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 345 0.733 3.199 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 345 1.632 4.700 -0.992 1.00 0.00 H new ATOM 1247 N LEU A 346 -0.403 3.566 -3.055 1.00 0.00 N ATOM 1248 CA LEU A 346 -1.312 3.726 -4.182 1.00 0.00 C ATOM 1249 C LEU A 346 -2.691 3.987 -3.651 1.00 0.00 C ATOM 1250 O LEU A 346 -2.997 5.143 -3.376 1.00 0.00 O ATOM 1251 CB LEU A 346 -1.194 2.979 -5.515 1.00 0.00 C ATOM 1252 CG LEU A 346 -2.097 3.448 -6.667 1.00 0.00 C ATOM 1253 CD1 LEU A 346 -1.294 3.707 -7.952 1.00 0.00 C ATOM 1254 CD2 LEU A 346 -3.181 2.377 -6.878 1.00 0.00 C ATOM 0 H LEU A 346 -0.852 3.014 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 346 -0.873 4.578 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 346 -0.159 3.046 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 346 -1.402 1.925 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 346 -2.561 4.401 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 346 -1.968 4.037 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 346 -0.548 4.480 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 346 -0.795 2.788 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 346 -3.840 2.681 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 346 -2.710 1.427 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 346 -3.763 2.263 -5.963 1.00 0.00 H new ATOM 1266 N LYS A 347 -3.507 2.907 -3.414 1.00 0.00 N ATOM 1267 CA LYS A 347 -4.775 2.967 -2.666 1.00 0.00 C ATOM 1268 C LYS A 347 -6.094 2.982 -3.453 1.00 0.00 C ATOM 1269 O LYS A 347 -7.102 3.434 -2.933 1.00 0.00 O ATOM 1270 CB LYS A 347 -4.836 4.013 -1.495 1.00 0.00 C ATOM 1271 CG LYS A 347 -5.404 3.516 -0.158 1.00 0.00 C ATOM 1272 CD LYS A 347 -5.423 4.656 0.877 1.00 0.00 C ATOM 1273 CE LYS A 347 -5.937 4.220 2.252 1.00 0.00 C ATOM 1274 NZ LYS A 347 -5.880 5.335 3.224 1.00 0.00 N ATOM 0 H LYS A 347 -3.285 1.969 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 347 -4.717 1.968 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -3.827 4.386 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -5.436 4.860 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -6.414 3.133 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -4.801 2.688 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -4.415 5.056 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -6.049 5.466 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -6.963 3.864 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -5.340 3.384 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 -6.234 5.010 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -4.896 5.657 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 -6.469 6.122 2.885 1.00 0.00 H new ATOM 1288 N GLN A 348 -6.161 2.473 -4.708 1.00 0.00 N ATOM 1289 CA GLN A 348 -7.336 2.441 -5.584 1.00 0.00 C ATOM 1290 C GLN A 348 -8.481 1.513 -5.194 1.00 0.00 C ATOM 1291 O GLN A 348 -9.660 1.867 -5.211 1.00 0.00 O ATOM 1292 CB GLN A 348 -6.775 2.011 -6.960 1.00 0.00 C ATOM 1293 CG GLN A 348 -7.765 1.730 -8.103 1.00 0.00 C ATOM 1294 CD GLN A 348 -6.930 1.246 -9.277 1.00 0.00 C ATOM 1295 OE1 GLN A 348 -6.484 2.035 -10.108 1.00 0.00 O ATOM 1296 NE2 GLN A 348 -6.668 -0.085 -9.336 1.00 0.00 N ATOM 0 H GLN A 348 -5.345 2.052 -5.152 1.00 0.00 H new ATOM 0 HA GLN A 348 -7.806 3.424 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 348 -6.092 2.791 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 348 -6.180 1.110 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 348 -8.496 0.977 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 348 -8.322 2.629 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 348 -7.054 -0.712 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 348 -6.085 -0.457 -10.086 1.00 0.00 H new ATOM 1305 N CYS A 349 -8.042 0.282 -4.878 1.00 0.00 N ATOM 1306 CA CYS A 349 -8.704 -0.952 -4.489 1.00 0.00 C ATOM 1307 C CYS A 349 -8.958 -1.905 -5.644 1.00 0.00 C ATOM 1308 O CYS A 349 -8.845 -1.574 -6.824 1.00 0.00 O ATOM 1309 CB CYS A 349 -9.855 -0.868 -3.424 1.00 0.00 C ATOM 1310 SG CYS A 349 -11.485 -0.285 -4.020 1.00 0.00 S ATOM 0 H CYS A 349 -7.035 0.119 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 349 -7.934 -1.429 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 349 -9.987 -1.858 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 349 -9.529 -0.206 -2.622 1.00 0.00 H new ATOM 0 HG CYS A 349 -11.340 0.846 -4.645 1.00 0.00 H new ATOM 1316 N LYS A 350 -9.270 -3.167 -5.284 1.00 0.00 N ATOM 1317 CA LYS A 350 -9.541 -4.285 -6.172 1.00 0.00 C ATOM 1318 C LYS A 350 -11.034 -4.420 -6.466 1.00 0.00 C ATOM 1319 O LYS A 350 -11.893 -3.879 -5.777 1.00 0.00 O ATOM 1320 CB LYS A 350 -9.005 -5.544 -5.439 1.00 0.00 C ATOM 1321 CG LYS A 350 -8.972 -6.906 -6.159 1.00 0.00 C ATOM 1322 CD LYS A 350 -8.114 -6.905 -7.434 1.00 0.00 C ATOM 1323 CE LYS A 350 -8.065 -8.268 -8.142 1.00 0.00 C ATOM 1324 NZ LYS A 350 -7.427 -9.299 -7.288 1.00 0.00 N ATOM 0 H LYS A 350 -9.340 -3.435 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 350 -9.058 -4.144 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 350 -7.987 -5.323 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 350 -9.602 -5.671 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 350 -8.588 -7.661 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 350 -9.991 -7.197 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 350 -8.506 -6.159 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 350 -7.099 -6.600 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 350 -9.076 -8.582 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 350 -7.512 -8.174 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -7.286 -10.169 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 -6.507 -8.950 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 -8.040 -9.502 -6.473 1.00 0.00 H new ATOM 1338 N ALA A 351 -11.415 -5.191 -7.516 1.00 0.00 N ATOM 1339 CA ALA A 351 -12.794 -5.486 -7.883 1.00 0.00 C ATOM 1340 C ALA A 351 -13.173 -6.805 -7.242 1.00 0.00 C ATOM 1341 O ALA A 351 -12.788 -7.877 -7.701 1.00 0.00 O ATOM 1342 CB ALA A 351 -12.969 -5.519 -9.414 1.00 0.00 C ATOM 0 H ALA A 351 -10.738 -5.631 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 351 -13.457 -4.701 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 351 -14.008 -5.741 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 351 -12.698 -4.550 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 351 -12.325 -6.289 -9.837 1.00 0.00 H new ATOM 1348 N ASN A 352 -13.884 -6.649 -6.099 1.00 0.00 N ATOM 1349 CA ASN A 352 -14.281 -7.610 -5.084 1.00 0.00 C ATOM 1350 C ASN A 352 -13.159 -7.596 -4.024 1.00 0.00 C ATOM 1351 O ASN A 352 -12.466 -8.596 -3.837 1.00 0.00 O ATOM 1352 CB ASN A 352 -14.653 -9.030 -5.646 1.00 0.00 C ATOM 1353 CG ASN A 352 -15.234 -9.994 -4.608 1.00 0.00 C ATOM 1354 OD1 ASN A 352 -14.879 -11.174 -4.576 1.00 0.00 O ATOM 1355 ND2 ASN A 352 -16.117 -9.488 -3.710 1.00 0.00 N ATOM 0 H ASN A 352 -14.228 -5.721 -5.852 1.00 0.00 H new ATOM 0 HA ASN A 352 -15.227 -7.321 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 352 -15.374 -8.909 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 352 -13.760 -9.480 -6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 352 -16.506 -10.089 -2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 352 -16.392 -8.507 -3.762 1.00 0.00 H new ATOM 1362 N PRO A 353 -12.906 -6.474 -3.283 1.00 0.00 N ATOM 1363 CA PRO A 353 -11.738 -6.340 -2.409 1.00 0.00 C ATOM 1364 C PRO A 353 -11.885 -7.059 -1.076 1.00 0.00 C ATOM 1365 O PRO A 353 -10.873 -7.282 -0.422 1.00 0.00 O ATOM 1366 CB PRO A 353 -11.608 -4.825 -2.215 1.00 0.00 C ATOM 1367 CG PRO A 353 -13.054 -4.317 -2.273 1.00 0.00 C ATOM 1368 CD PRO A 353 -13.644 -5.208 -3.370 1.00 0.00 C ATOM 0 HA PRO A 353 -10.856 -6.803 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -11.138 -4.584 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -10.995 -4.374 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -13.571 -4.440 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -13.108 -3.259 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -14.712 -5.364 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -13.526 -4.751 -4.353 1.00 0.00 H new