USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 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 -48:sc= 1.23 USER MOD Single : A 279 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 THR OG1 : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 288 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 CYS SG : rot 80:sc= -4.01 USER MOD Single : A 305 HIS : no HE2:sc= -1.24! C(o=-1.2!,f=-1.3!) USER MOD Single : A 323 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 331 MET CE :methyl 176:sc= -0.011 (180deg=-0.0284) USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ -171:sc= 0.0899 (180deg=0.0599) USER MOD Single : A 348 GLN : amide:sc= 0.825 K(o=0.82,f=-0.0029) USER MOD Single : A 349 CYS SG : rot 180:sc= 0 USER MOD Single : A 350 LYS NZ :NH3+ -169:sc= -0.0116 (180deg=-0.145) USER MOD Single : A 352 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 126 N TYR A 274 14.461 -2.956 -4.162 1.00 0.00 N ATOM 127 CA TYR A 274 13.162 -2.656 -4.726 1.00 0.00 C ATOM 128 C TYR A 274 13.127 -1.311 -5.473 1.00 0.00 C ATOM 129 O TYR A 274 13.234 -0.284 -4.801 1.00 0.00 O ATOM 130 CB TYR A 274 12.135 -2.649 -3.552 1.00 0.00 C ATOM 131 CG TYR A 274 11.145 -3.771 -3.707 1.00 0.00 C ATOM 132 CD1 TYR A 274 10.176 -3.720 -4.692 1.00 0.00 C ATOM 133 CD2 TYR A 274 11.223 -4.891 -2.901 1.00 0.00 C ATOM 134 CE1 TYR A 274 9.280 -4.760 -4.842 1.00 0.00 C ATOM 135 CE2 TYR A 274 10.312 -5.926 -3.036 1.00 0.00 C ATOM 136 CZ TYR A 274 9.327 -5.851 -4.001 1.00 0.00 C ATOM 137 OH TYR A 274 8.362 -6.874 -4.143 1.00 0.00 O ATOM 0 HA TYR A 274 12.917 -3.415 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 274 12.660 -2.749 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 274 11.610 -1.694 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 274 10.120 -2.863 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 274 12.003 -4.960 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 274 8.537 -4.718 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 274 10.372 -6.789 -2.389 1.00 0.00 H new ATOM 0 HH TYR A 274 8.528 -7.575 -3.479 1.00 0.00 H new ATOM 147 N PRO A 275 12.975 -1.237 -6.825 1.00 0.00 N ATOM 148 CA PRO A 275 12.905 0.006 -7.607 1.00 0.00 C ATOM 149 C PRO A 275 11.669 0.876 -7.302 1.00 0.00 C ATOM 150 O PRO A 275 10.522 0.436 -7.420 1.00 0.00 O ATOM 151 CB PRO A 275 12.972 -0.466 -9.079 1.00 0.00 C ATOM 152 CG PRO A 275 13.590 -1.865 -9.008 1.00 0.00 C ATOM 153 CD PRO A 275 13.010 -2.404 -7.703 1.00 0.00 C ATOM 0 HA PRO A 275 13.722 0.680 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 275 11.981 -0.493 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 275 13.581 0.206 -9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 275 13.309 -2.479 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 275 14.679 -1.829 -8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 275 12.014 -2.822 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 275 13.631 -3.198 -7.288 1.00 0.00 H new ATOM 161 N GLU A 276 11.917 2.145 -6.883 1.00 0.00 N ATOM 162 CA GLU A 276 10.972 3.174 -6.448 1.00 0.00 C ATOM 163 C GLU A 276 10.074 3.684 -7.579 1.00 0.00 C ATOM 164 O GLU A 276 10.587 4.281 -8.524 1.00 0.00 O ATOM 165 CB GLU A 276 11.741 4.405 -5.854 1.00 0.00 C ATOM 166 CG GLU A 276 12.938 4.121 -4.916 1.00 0.00 C ATOM 167 CD GLU A 276 12.525 3.450 -3.610 1.00 0.00 C ATOM 168 OE1 GLU A 276 12.169 2.244 -3.642 1.00 0.00 O ATOM 169 OE2 GLU A 276 12.591 4.135 -2.554 1.00 0.00 O ATOM 0 H GLU A 276 12.875 2.492 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 276 10.342 2.699 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 276 12.103 5.008 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 276 11.024 5.016 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 276 13.656 3.485 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 276 13.447 5.058 -4.691 1.00 0.00 H new ATOM 176 N GLY A 277 8.725 3.466 -7.546 1.00 0.00 N ATOM 177 CA GLY A 277 7.880 3.993 -8.631 1.00 0.00 C ATOM 178 C GLY A 277 7.424 2.977 -9.614 1.00 0.00 C ATOM 179 O GLY A 277 6.766 3.246 -10.613 1.00 0.00 O ATOM 0 H GLY A 277 8.231 2.954 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 277 7.005 4.471 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 277 8.434 4.768 -9.161 1.00 0.00 H new ATOM 183 N THR A 278 7.735 1.739 -9.231 1.00 0.00 N ATOM 184 CA THR A 278 7.282 0.460 -9.785 1.00 0.00 C ATOM 185 C THR A 278 6.136 0.065 -8.875 1.00 0.00 C ATOM 186 O THR A 278 6.150 0.375 -7.689 1.00 0.00 O ATOM 187 CB THR A 278 8.329 -0.669 -9.922 1.00 0.00 C ATOM 188 OG1 THR A 278 8.885 -1.136 -8.690 1.00 0.00 O ATOM 189 CG2 THR A 278 9.469 -0.212 -10.848 1.00 0.00 C ATOM 0 H THR A 278 8.373 1.591 -8.449 1.00 0.00 H new ATOM 0 HA THR A 278 7.011 0.599 -10.832 1.00 0.00 H new ATOM 0 HB THR A 278 7.783 -1.514 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 278 9.166 -0.370 -8.147 1.00 0.00 H new ATOM 0 HG21 THR A 278 10.204 -1.011 -10.941 1.00 0.00 H new ATOM 0 HG22 THR A 278 9.065 0.026 -11.832 1.00 0.00 H new ATOM 0 HG23 THR A 278 9.946 0.673 -10.428 1.00 0.00 H new ATOM 197 N LYS A 279 5.067 -0.568 -9.389 1.00 0.00 N ATOM 198 CA LYS A 279 3.877 -0.846 -8.590 1.00 0.00 C ATOM 199 C LYS A 279 3.705 -2.280 -8.176 1.00 0.00 C ATOM 200 O LYS A 279 4.177 -3.223 -8.806 1.00 0.00 O ATOM 201 CB LYS A 279 2.595 -0.466 -9.390 1.00 0.00 C ATOM 202 CG LYS A 279 2.418 1.027 -9.692 1.00 0.00 C ATOM 203 CD LYS A 279 1.181 1.252 -10.573 1.00 0.00 C ATOM 204 CE LYS A 279 0.743 2.718 -10.667 1.00 0.00 C ATOM 205 NZ LYS A 279 -0.506 2.849 -11.453 1.00 0.00 N ATOM 0 H LYS A 279 5.010 -0.894 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 279 4.017 -0.249 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 279 2.604 -1.010 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 279 1.725 -0.811 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 279 2.315 1.583 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 279 3.305 1.410 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 279 1.389 0.880 -11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 279 0.354 0.661 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 279 0.591 3.121 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 279 1.533 3.308 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 279 -0.782 3.851 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 279 -0.351 2.485 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 279 -1.264 2.303 -10.995 1.00 0.00 H new ATOM 219 N LEU A 280 2.954 -2.423 -7.054 1.00 0.00 N ATOM 220 CA LEU A 280 2.612 -3.712 -6.450 1.00 0.00 C ATOM 221 C LEU A 280 1.134 -3.745 -6.252 1.00 0.00 C ATOM 222 O LEU A 280 0.394 -2.770 -6.337 1.00 0.00 O ATOM 223 CB LEU A 280 3.220 -4.088 -5.038 1.00 0.00 C ATOM 224 CG LEU A 280 4.598 -3.551 -4.641 1.00 0.00 C ATOM 225 CD1 LEU A 280 5.714 -3.925 -5.618 1.00 0.00 C ATOM 226 CD2 LEU A 280 4.486 -2.053 -4.339 1.00 0.00 C ATOM 0 H LEU A 280 2.569 -1.627 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 280 3.041 -4.425 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 280 2.510 -3.758 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 280 3.265 -5.176 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 280 4.916 -4.050 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 280 6.659 -3.508 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 280 5.796 -5.010 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 280 5.484 -3.523 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 280 5.464 -1.665 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 280 4.131 -1.529 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 280 3.783 -1.898 -3.520 1.00 0.00 H new ATOM 238 N THR A 281 0.699 -4.933 -5.835 1.00 0.00 N ATOM 239 CA THR A 281 -0.615 -5.181 -5.279 1.00 0.00 C ATOM 240 C THR A 281 -0.333 -5.571 -3.839 1.00 0.00 C ATOM 241 O THR A 281 0.571 -6.355 -3.552 1.00 0.00 O ATOM 242 CB THR A 281 -1.357 -6.347 -5.973 1.00 0.00 C ATOM 243 OG1 THR A 281 -1.471 -6.136 -7.371 1.00 0.00 O ATOM 244 CG2 THR A 281 -2.787 -6.567 -5.449 1.00 0.00 C ATOM 0 H THR A 281 1.277 -5.772 -5.880 1.00 0.00 H new ATOM 0 HA THR A 281 -1.254 -4.306 -5.400 1.00 0.00 H new ATOM 0 HB THR A 281 -0.747 -7.222 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 281 -1.943 -6.892 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 281 -3.245 -7.400 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 281 -2.753 -6.792 -4.383 1.00 0.00 H new ATOM 0 HG23 THR A 281 -3.377 -5.665 -5.611 1.00 0.00 H new ATOM 252 N GLY A 282 -1.132 -5.005 -2.913 1.00 0.00 N ATOM 253 CA GLY A 282 -1.066 -5.329 -1.491 1.00 0.00 C ATOM 254 C GLY A 282 -2.404 -5.184 -0.875 1.00 0.00 C ATOM 255 O GLY A 282 -3.382 -4.705 -1.452 1.00 0.00 O ATOM 0 H GLY A 282 -1.841 -4.308 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.704 -6.349 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.354 -4.671 -0.993 1.00 0.00 H new ATOM 259 N ARG A 283 -2.471 -5.654 0.376 1.00 0.00 N ATOM 260 CA ARG A 283 -3.717 -5.783 1.121 1.00 0.00 C ATOM 261 C ARG A 283 -3.527 -5.135 2.459 1.00 0.00 C ATOM 262 O ARG A 283 -2.504 -5.351 3.098 1.00 0.00 O ATOM 263 CB ARG A 283 -4.068 -7.291 1.323 1.00 0.00 C ATOM 264 CG ARG A 283 -3.954 -8.141 0.040 1.00 0.00 C ATOM 265 CD ARG A 283 -4.615 -9.519 0.176 1.00 0.00 C ATOM 266 NE ARG A 283 -4.498 -10.227 -1.146 1.00 0.00 N ATOM 267 CZ ARG A 283 -4.998 -11.481 -1.372 1.00 0.00 C ATOM 268 NH1 ARG A 283 -5.642 -12.167 -0.383 1.00 0.00 N ATOM 269 NH2 ARG A 283 -4.850 -12.052 -2.603 1.00 0.00 N ATOM 0 H ARG A 283 -1.650 -5.957 0.900 1.00 0.00 H new ATOM 0 HA ARG A 283 -4.529 -5.306 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.407 -7.708 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -5.085 -7.368 1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -4.415 -7.603 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -2.901 -8.272 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -4.130 -10.098 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -5.662 -9.412 0.459 1.00 0.00 H new ATOM 0 HE ARG A 283 -4.023 -9.749 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -5.756 -11.746 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -6.009 -13.101 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -4.370 -11.545 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -5.220 -12.986 -2.780 1.00 0.00 H new ATOM 283 N VAL A 284 -4.476 -4.300 2.932 1.00 0.00 N ATOM 284 CA VAL A 284 -4.301 -3.545 4.192 1.00 0.00 C ATOM 285 C VAL A 284 -4.489 -4.340 5.480 1.00 0.00 C ATOM 286 O VAL A 284 -5.502 -5.007 5.709 1.00 0.00 O ATOM 287 CB VAL A 284 -5.176 -2.287 4.303 1.00 0.00 C ATOM 288 CG1 VAL A 284 -4.722 -1.401 5.494 1.00 0.00 C ATOM 289 CG2 VAL A 284 -5.058 -1.469 3.005 1.00 0.00 C ATOM 0 H VAL A 284 -5.367 -4.132 2.464 1.00 0.00 H new ATOM 0 HA VAL A 284 -3.250 -3.269 4.108 1.00 0.00 H new ATOM 0 HB VAL A 284 -6.208 -2.599 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 284 -5.356 -0.517 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 284 -4.804 -1.968 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 284 -3.686 -1.095 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 284 -5.678 -0.576 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 284 -4.019 -1.178 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 284 -5.394 -2.073 2.162 1.00 0.00 H new ATOM 299 N THR A 285 -3.441 -4.209 6.337 1.00 0.00 N ATOM 300 CA THR A 285 -3.296 -4.874 7.626 1.00 0.00 C ATOM 301 C THR A 285 -3.441 -3.929 8.825 1.00 0.00 C ATOM 302 O THR A 285 -4.035 -4.319 9.833 1.00 0.00 O ATOM 303 CB THR A 285 -2.037 -5.755 7.639 1.00 0.00 C ATOM 304 OG1 THR A 285 -2.032 -6.774 8.636 1.00 0.00 O ATOM 305 CG2 THR A 285 -0.752 -4.927 7.760 1.00 0.00 C ATOM 0 H THR A 285 -2.647 -3.606 6.122 1.00 0.00 H new ATOM 0 HA THR A 285 -4.142 -5.549 7.753 1.00 0.00 H new ATOM 0 HB THR A 285 -2.065 -6.256 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 285 -1.200 -7.288 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 285 0.111 -5.593 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 285 -0.678 -4.244 6.914 1.00 0.00 H new ATOM 0 HG23 THR A 285 -0.774 -4.355 8.687 1.00 0.00 H new ATOM 313 N ASN A 286 -2.859 -2.679 8.809 1.00 0.00 N ATOM 314 CA ASN A 286 -3.110 -1.729 9.905 1.00 0.00 C ATOM 315 C ASN A 286 -3.395 -0.352 9.349 1.00 0.00 C ATOM 316 O ASN A 286 -3.245 -0.137 8.154 1.00 0.00 O ATOM 317 CB ASN A 286 -2.081 -1.804 11.078 1.00 0.00 C ATOM 318 CG ASN A 286 -2.800 -2.097 12.407 1.00 0.00 C ATOM 319 OD1 ASN A 286 -2.839 -1.247 13.297 1.00 0.00 O ATOM 320 ND2 ASN A 286 -3.416 -3.302 12.515 1.00 0.00 N ATOM 0 H ASN A 286 -2.242 -2.336 8.073 1.00 0.00 H new ATOM 0 HA ASN A 286 -4.021 -2.038 10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -1.346 -2.583 10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -1.536 -0.863 11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -3.938 -3.534 13.360 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -3.356 -3.975 11.751 1.00 0.00 H new ATOM 327 N LEU A 287 -3.761 0.647 10.181 1.00 0.00 N ATOM 328 CA LEU A 287 -3.954 2.037 9.766 1.00 0.00 C ATOM 329 C LEU A 287 -3.006 2.901 10.562 1.00 0.00 C ATOM 330 O LEU A 287 -2.670 2.590 11.703 1.00 0.00 O ATOM 331 CB LEU A 287 -5.457 2.415 9.946 1.00 0.00 C ATOM 332 CG LEU A 287 -6.055 3.425 8.936 1.00 0.00 C ATOM 333 CD1 LEU A 287 -7.526 3.060 8.655 1.00 0.00 C ATOM 334 CD2 LEU A 287 -5.921 4.893 9.371 1.00 0.00 C ATOM 0 H LEU A 287 -3.931 0.498 11.176 1.00 0.00 H new ATOM 0 HA LEU A 287 -3.722 2.191 8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 287 -6.045 1.498 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 287 -5.586 2.822 10.949 1.00 0.00 H new ATOM 0 HG LEU A 287 -5.470 3.345 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 287 -7.948 3.771 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 287 -7.578 2.055 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 287 -8.094 3.096 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 287 -6.363 5.539 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 287 -6.438 5.040 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 287 -4.867 5.142 9.490 1.00 0.00 H new ATOM 346 N THR A 288 -2.514 4.003 9.938 1.00 0.00 N ATOM 347 CA THR A 288 -1.519 4.919 10.531 1.00 0.00 C ATOM 348 C THR A 288 -2.183 6.259 10.800 1.00 0.00 C ATOM 349 O THR A 288 -3.331 6.493 10.443 1.00 0.00 O ATOM 350 CB THR A 288 -0.272 5.115 9.641 1.00 0.00 C ATOM 351 OG1 THR A 288 0.014 3.938 8.910 1.00 0.00 O ATOM 352 CG2 THR A 288 1.006 5.446 10.435 1.00 0.00 C ATOM 0 H THR A 288 -2.804 4.278 9.000 1.00 0.00 H new ATOM 0 HA THR A 288 -1.167 4.469 11.459 1.00 0.00 H new ATOM 0 HB THR A 288 -0.525 5.954 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 288 0.480 3.299 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 288 1.841 5.570 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 288 0.858 6.369 10.995 1.00 0.00 H new ATOM 0 HG23 THR A 288 1.225 4.633 11.127 1.00 0.00 H new ATOM 360 N ASP A 289 -1.466 7.252 11.393 1.00 0.00 N ATOM 361 CA ASP A 289 -1.882 8.609 11.680 1.00 0.00 C ATOM 362 C ASP A 289 -2.024 9.508 10.444 1.00 0.00 C ATOM 363 O ASP A 289 -2.585 10.598 10.498 1.00 0.00 O ATOM 364 CB ASP A 289 -0.780 9.175 12.607 1.00 0.00 C ATOM 365 CG ASP A 289 -0.754 8.414 13.939 1.00 0.00 C ATOM 366 OD1 ASP A 289 -1.779 8.468 14.671 1.00 0.00 O ATOM 367 OD2 ASP A 289 0.289 7.774 14.237 1.00 0.00 O ATOM 0 H ASP A 289 -0.507 7.087 11.699 1.00 0.00 H new ATOM 0 HA ASP A 289 -2.877 8.593 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 289 0.191 9.096 12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 289 -0.960 10.234 12.790 1.00 0.00 H new ATOM 372 N TYR A 290 -1.510 9.029 9.289 1.00 0.00 N ATOM 373 CA TYR A 290 -1.585 9.665 8.008 1.00 0.00 C ATOM 374 C TYR A 290 -1.248 8.673 6.924 1.00 0.00 C ATOM 375 O TYR A 290 -0.494 8.919 5.976 1.00 0.00 O ATOM 376 CB TYR A 290 -0.801 11.020 7.916 1.00 0.00 C ATOM 377 CG TYR A 290 0.711 11.029 8.120 1.00 0.00 C ATOM 378 CD1 TYR A 290 1.494 9.938 8.489 1.00 0.00 C ATOM 379 CD2 TYR A 290 1.356 12.230 7.872 1.00 0.00 C ATOM 380 CE1 TYR A 290 2.870 10.036 8.535 1.00 0.00 C ATOM 381 CE2 TYR A 290 2.734 12.328 7.908 1.00 0.00 C ATOM 382 CZ TYR A 290 3.490 11.220 8.218 1.00 0.00 C ATOM 383 OH TYR A 290 4.895 11.272 8.193 1.00 0.00 O ATOM 0 H TYR A 290 -1.011 8.140 9.252 1.00 0.00 H new ATOM 0 HA TYR A 290 -2.616 9.981 7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 290 -1.000 11.446 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 290 -1.234 11.698 8.651 1.00 0.00 H new ATOM 0 HD1 TYR A 290 1.018 9.002 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 290 0.769 13.108 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 290 3.461 9.179 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 290 3.216 13.270 7.694 1.00 0.00 H new ATOM 0 HH TYR A 290 5.185 12.176 7.951 1.00 0.00 H new ATOM 393 N GLY A 291 -1.878 7.484 7.026 1.00 0.00 N ATOM 394 CA GLY A 291 -1.725 6.487 5.991 1.00 0.00 C ATOM 395 C GLY A 291 -2.311 5.248 6.522 1.00 0.00 C ATOM 396 O GLY A 291 -3.069 5.243 7.488 1.00 0.00 O ATOM 0 H GLY A 291 -2.480 7.212 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 291 -2.231 6.795 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 291 -0.674 6.344 5.741 1.00 0.00 H new ATOM 400 N CYS A 292 -1.918 4.141 5.916 1.00 0.00 N ATOM 401 CA CYS A 292 -2.247 2.822 6.394 1.00 0.00 C ATOM 402 C CYS A 292 -1.083 1.945 6.086 1.00 0.00 C ATOM 403 O CYS A 292 -0.231 2.294 5.265 1.00 0.00 O ATOM 404 CB CYS A 292 -3.632 2.261 5.943 1.00 0.00 C ATOM 405 SG CYS A 292 -3.836 1.763 4.205 1.00 0.00 S ATOM 0 H CYS A 292 -1.354 4.140 5.066 1.00 0.00 H new ATOM 0 HA CYS A 292 -2.406 2.865 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 292 -3.859 1.396 6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 292 -4.385 3.018 6.163 1.00 0.00 H new ATOM 0 HG CYS A 292 -3.319 0.583 4.028 1.00 0.00 H new ATOM 411 N PHE A 293 -1.032 0.757 6.734 1.00 0.00 N ATOM 412 CA PHE A 293 0.059 -0.188 6.498 1.00 0.00 C ATOM 413 C PHE A 293 -0.495 -1.252 5.596 1.00 0.00 C ATOM 414 O PHE A 293 -1.491 -1.899 5.944 1.00 0.00 O ATOM 415 CB PHE A 293 0.615 -0.810 7.804 1.00 0.00 C ATOM 416 CG PHE A 293 1.341 0.242 8.591 1.00 0.00 C ATOM 417 CD1 PHE A 293 2.573 0.701 8.159 1.00 0.00 C ATOM 418 CD2 PHE A 293 0.814 0.750 9.767 1.00 0.00 C ATOM 419 CE1 PHE A 293 3.264 1.645 8.889 1.00 0.00 C ATOM 420 CE2 PHE A 293 1.521 1.668 10.515 1.00 0.00 C ATOM 421 CZ PHE A 293 2.746 2.124 10.073 1.00 0.00 C ATOM 0 H PHE A 293 -1.727 0.443 7.412 1.00 0.00 H new ATOM 0 HA PHE A 293 0.905 0.331 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -0.200 -1.225 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 293 1.290 -1.633 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 293 2.997 0.317 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -0.160 0.424 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 293 4.215 2.011 8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 293 1.115 2.030 11.448 1.00 0.00 H new ATOM 0 HZ PHE A 293 3.296 2.852 10.651 1.00 0.00 H new ATOM 431 N VAL A 294 0.132 -1.404 4.402 1.00 0.00 N ATOM 432 CA VAL A 294 -0.364 -2.253 3.349 1.00 0.00 C ATOM 433 C VAL A 294 0.557 -3.416 3.304 1.00 0.00 C ATOM 434 O VAL A 294 1.758 -3.267 3.153 1.00 0.00 O ATOM 435 CB VAL A 294 -0.367 -1.536 1.996 1.00 0.00 C ATOM 436 CG1 VAL A 294 -1.030 -2.446 0.942 1.00 0.00 C ATOM 437 CG2 VAL A 294 -1.128 -0.202 2.143 1.00 0.00 C ATOM 0 H VAL A 294 1.002 -0.926 4.165 1.00 0.00 H new ATOM 0 HA VAL A 294 -1.395 -2.546 3.545 1.00 0.00 H new ATOM 0 HB VAL A 294 0.651 -1.322 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 294 -1.035 -1.941 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 294 -0.470 -3.377 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 294 -2.055 -2.664 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 294 -1.137 0.319 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -2.152 -0.400 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 294 -0.633 0.419 2.889 1.00 0.00 H new ATOM 447 N GLU A 295 0.030 -4.634 3.409 1.00 0.00 N ATOM 448 CA GLU A 295 0.865 -5.826 3.369 1.00 0.00 C ATOM 449 C GLU A 295 1.090 -6.414 1.985 1.00 0.00 C ATOM 450 O GLU A 295 0.136 -6.677 1.253 1.00 0.00 O ATOM 451 CB GLU A 295 0.303 -6.906 4.331 1.00 0.00 C ATOM 452 CG GLU A 295 1.374 -7.246 5.372 1.00 0.00 C ATOM 453 CD GLU A 295 0.926 -8.312 6.365 1.00 0.00 C ATOM 454 OE1 GLU A 295 -0.188 -8.876 6.203 1.00 0.00 O ATOM 455 OE2 GLU A 295 1.709 -8.570 7.319 1.00 0.00 O ATOM 0 H GLU A 295 -0.967 -4.818 3.522 1.00 0.00 H new ATOM 0 HA GLU A 295 1.850 -5.496 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 295 -0.599 -6.541 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 295 0.022 -7.799 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 295 2.273 -7.589 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 295 1.643 -6.341 5.917 1.00 0.00 H new ATOM 462 N ILE A 296 2.367 -6.732 1.611 1.00 0.00 N ATOM 463 CA ILE A 296 2.620 -7.546 0.364 1.00 0.00 C ATOM 464 C ILE A 296 2.522 -9.068 0.670 1.00 0.00 C ATOM 465 O ILE A 296 3.426 -9.839 0.354 1.00 0.00 O ATOM 466 CB ILE A 296 3.951 -7.347 -0.405 1.00 0.00 C ATOM 467 CG1 ILE A 296 4.485 -5.905 -0.438 1.00 0.00 C ATOM 468 CG2 ILE A 296 3.737 -7.840 -1.871 1.00 0.00 C ATOM 469 CD1 ILE A 296 5.841 -5.837 -1.160 1.00 0.00 C ATOM 0 H ILE A 296 3.205 -6.456 2.122 1.00 0.00 H new ATOM 0 HA ILE A 296 1.839 -7.159 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 296 4.705 -7.920 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 296 3.767 -5.259 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 296 4.591 -5.529 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 296 4.660 -7.711 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 296 3.460 -8.894 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 296 2.942 -7.259 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 296 6.197 -4.807 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 296 6.563 -6.465 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 296 5.726 -6.191 -2.185 1.00 0.00 H new ATOM 481 N GLU A 297 1.438 -9.500 1.375 1.00 0.00 N ATOM 482 CA GLU A 297 1.238 -10.821 1.995 1.00 0.00 C ATOM 483 C GLU A 297 1.897 -10.789 3.359 1.00 0.00 C ATOM 484 O GLU A 297 2.632 -9.863 3.698 1.00 0.00 O ATOM 485 CB GLU A 297 1.603 -12.079 1.149 1.00 0.00 C ATOM 486 CG GLU A 297 0.821 -12.174 -0.181 1.00 0.00 C ATOM 487 CD GLU A 297 -0.685 -12.240 0.077 1.00 0.00 C ATOM 488 OE1 GLU A 297 -1.137 -13.231 0.709 1.00 0.00 O ATOM 489 OE2 GLU A 297 -1.401 -11.298 -0.357 1.00 0.00 O ATOM 0 H GLU A 297 0.636 -8.888 1.529 1.00 0.00 H new ATOM 0 HA GLU A 297 0.162 -10.970 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 297 2.671 -12.065 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 297 1.409 -12.974 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 297 1.050 -11.310 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 297 1.139 -13.059 -0.732 1.00 0.00 H new ATOM 496 N GLU A 298 1.630 -11.789 4.227 1.00 0.00 N ATOM 497 CA GLU A 298 2.146 -11.753 5.603 1.00 0.00 C ATOM 498 C GLU A 298 3.697 -11.799 5.785 1.00 0.00 C ATOM 499 O GLU A 298 4.355 -12.782 5.453 1.00 0.00 O ATOM 500 CB GLU A 298 1.488 -12.925 6.392 1.00 0.00 C ATOM 501 CG GLU A 298 1.724 -12.960 7.920 1.00 0.00 C ATOM 502 CD GLU A 298 1.225 -11.676 8.583 1.00 0.00 C ATOM 503 OE1 GLU A 298 0.008 -11.375 8.459 1.00 0.00 O ATOM 504 OE2 GLU A 298 2.056 -10.982 9.229 1.00 0.00 O ATOM 0 H GLU A 298 1.072 -12.612 4.002 1.00 0.00 H new ATOM 0 HA GLU A 298 1.878 -10.768 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.413 -12.891 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.851 -13.863 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 298 1.210 -13.819 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.787 -13.089 8.124 1.00 0.00 H new ATOM 511 N GLY A 299 4.271 -10.718 6.403 1.00 0.00 N ATOM 512 CA GLY A 299 5.671 -10.580 6.811 1.00 0.00 C ATOM 513 C GLY A 299 6.488 -9.558 6.082 1.00 0.00 C ATOM 514 O GLY A 299 7.526 -9.087 6.540 1.00 0.00 O ATOM 0 H GLY A 299 3.724 -9.888 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 299 5.693 -10.338 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 299 6.156 -11.549 6.695 1.00 0.00 H new ATOM 518 N VAL A 300 6.010 -9.184 4.897 1.00 0.00 N ATOM 519 CA VAL A 300 6.596 -8.169 4.017 1.00 0.00 C ATOM 520 C VAL A 300 5.564 -7.073 3.895 1.00 0.00 C ATOM 521 O VAL A 300 4.414 -7.318 3.542 1.00 0.00 O ATOM 522 CB VAL A 300 7.137 -8.752 2.714 1.00 0.00 C ATOM 523 CG1 VAL A 300 6.106 -9.680 2.046 1.00 0.00 C ATOM 524 CG2 VAL A 300 7.638 -7.637 1.771 1.00 0.00 C ATOM 0 H VAL A 300 5.165 -9.598 4.504 1.00 0.00 H new ATOM 0 HA VAL A 300 7.505 -7.734 4.433 1.00 0.00 H new ATOM 0 HB VAL A 300 8.002 -9.372 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 300 6.521 -10.079 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 300 5.866 -10.502 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 300 5.200 -9.117 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 300 8.018 -8.082 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 300 6.815 -6.963 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 300 8.436 -7.078 2.260 1.00 0.00 H new ATOM 534 N GLU A 301 5.896 -5.814 4.250 1.00 0.00 N ATOM 535 CA GLU A 301 4.827 -4.863 4.422 1.00 0.00 C ATOM 536 C GLU A 301 5.283 -3.482 4.130 1.00 0.00 C ATOM 537 O GLU A 301 6.408 -3.078 4.410 1.00 0.00 O ATOM 538 CB GLU A 301 4.224 -4.955 5.856 1.00 0.00 C ATOM 539 CG GLU A 301 5.266 -4.970 6.993 1.00 0.00 C ATOM 540 CD GLU A 301 4.547 -4.871 8.337 1.00 0.00 C ATOM 541 OE1 GLU A 301 3.746 -5.793 8.650 1.00 0.00 O ATOM 542 OE2 GLU A 301 4.785 -3.872 9.067 1.00 0.00 O ATOM 0 H GLU A 301 6.841 -5.466 4.410 1.00 0.00 H new ATOM 0 HA GLU A 301 4.043 -5.114 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.552 -4.110 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.619 -5.859 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 301 5.856 -5.886 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.960 -4.138 6.877 1.00 0.00 H new ATOM 549 N GLY A 302 4.322 -2.746 3.553 1.00 0.00 N ATOM 550 CA GLY A 302 4.360 -1.325 3.203 1.00 0.00 C ATOM 551 C GLY A 302 3.558 -0.394 4.047 1.00 0.00 C ATOM 552 O GLY A 302 2.834 -0.782 4.951 1.00 0.00 O ATOM 0 H GLY A 302 3.428 -3.166 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.399 -0.997 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 302 4.022 -1.222 2.172 1.00 0.00 H new ATOM 556 N LEU A 303 3.720 0.907 3.735 1.00 0.00 N ATOM 557 CA LEU A 303 2.961 2.043 4.277 1.00 0.00 C ATOM 558 C LEU A 303 2.415 2.797 3.110 1.00 0.00 C ATOM 559 O LEU A 303 3.187 3.351 2.333 1.00 0.00 O ATOM 560 CB LEU A 303 3.837 3.071 5.083 1.00 0.00 C ATOM 561 CG LEU A 303 3.320 4.547 5.276 1.00 0.00 C ATOM 562 CD1 LEU A 303 2.090 4.649 6.191 1.00 0.00 C ATOM 563 CD2 LEU A 303 4.444 5.411 5.875 1.00 0.00 C ATOM 0 H LEU A 303 4.424 1.206 3.060 1.00 0.00 H new ATOM 0 HA LEU A 303 2.211 1.634 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 303 4.004 2.651 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 303 4.809 3.127 4.593 1.00 0.00 H new ATOM 0 HG LEU A 303 3.025 4.901 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 303 1.788 5.693 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 303 1.271 4.069 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 303 2.337 4.258 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 303 4.086 6.432 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 303 4.742 5.002 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 303 5.301 5.412 5.201 1.00 0.00 H new ATOM 575 N VAL A 304 1.070 2.937 2.992 1.00 0.00 N ATOM 576 CA VAL A 304 0.514 3.837 1.955 1.00 0.00 C ATOM 577 C VAL A 304 0.320 5.185 2.573 1.00 0.00 C ATOM 578 O VAL A 304 -0.421 5.333 3.544 1.00 0.00 O ATOM 579 CB VAL A 304 -0.722 3.427 1.141 1.00 0.00 C ATOM 580 CG1 VAL A 304 -1.943 3.173 2.027 1.00 0.00 C ATOM 581 CG2 VAL A 304 -1.045 4.491 0.052 1.00 0.00 C ATOM 0 H VAL A 304 0.380 2.462 3.573 1.00 0.00 H new ATOM 0 HA VAL A 304 1.268 3.801 1.169 1.00 0.00 H new ATOM 0 HB VAL A 304 -0.481 2.485 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -2.791 2.886 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -1.721 2.371 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -2.188 4.081 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -1.924 4.179 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -1.241 5.451 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -0.196 4.589 -0.624 1.00 0.00 H new ATOM 591 N HIS A 305 1.029 6.201 2.025 1.00 0.00 N ATOM 592 CA HIS A 305 0.894 7.566 2.578 1.00 0.00 C ATOM 593 C HIS A 305 -0.363 8.283 2.054 1.00 0.00 C ATOM 594 O HIS A 305 -0.552 8.393 0.847 1.00 0.00 O ATOM 595 CB HIS A 305 2.170 8.416 2.372 1.00 0.00 C ATOM 596 CG HIS A 305 2.209 9.721 3.144 1.00 0.00 C ATOM 597 ND1 HIS A 305 1.679 9.944 4.405 1.00 0.00 N ATOM 598 CD2 HIS A 305 2.794 10.895 2.781 1.00 0.00 C ATOM 599 CE1 HIS A 305 1.961 11.231 4.720 1.00 0.00 C ATOM 600 NE2 HIS A 305 2.641 11.845 3.774 1.00 0.00 N ATOM 0 H HIS A 305 1.671 6.109 1.238 1.00 0.00 H new ATOM 0 HA HIS A 305 0.768 7.449 3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 305 3.035 7.818 2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 305 2.272 8.638 1.310 1.00 0.00 H new ATOM 0 HD1 HIS A 305 1.175 9.271 4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 305 3.307 11.062 1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 305 1.661 11.702 5.645 1.00 0.00 H new ATOM 608 N VAL A 306 -1.272 8.774 2.951 1.00 0.00 N ATOM 609 CA VAL A 306 -2.610 9.356 2.690 1.00 0.00 C ATOM 610 C VAL A 306 -2.811 10.459 1.623 1.00 0.00 C ATOM 611 O VAL A 306 -3.930 10.807 1.249 1.00 0.00 O ATOM 612 CB VAL A 306 -3.260 9.735 4.025 1.00 0.00 C ATOM 613 CG1 VAL A 306 -2.848 11.145 4.514 1.00 0.00 C ATOM 614 CG2 VAL A 306 -4.787 9.519 3.995 1.00 0.00 C ATOM 0 H VAL A 306 -1.064 8.769 3.949 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.113 8.538 2.174 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.868 9.050 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.339 11.359 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -1.767 11.182 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.148 11.888 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.213 9.798 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.226 10.136 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -5.002 8.470 3.794 1.00 0.00 H new ATOM 866 N VAL A 322 -9.882 3.756 4.043 1.00 0.00 N ATOM 867 CA VAL A 322 -9.366 2.435 4.392 1.00 0.00 C ATOM 868 C VAL A 322 -10.154 1.679 5.452 1.00 0.00 C ATOM 869 O VAL A 322 -10.584 2.177 6.490 1.00 0.00 O ATOM 870 CB VAL A 322 -7.829 2.354 4.516 1.00 0.00 C ATOM 871 CG1 VAL A 322 -7.269 1.097 5.219 1.00 0.00 C ATOM 872 CG2 VAL A 322 -7.213 2.547 3.112 1.00 0.00 C ATOM 0 HA VAL A 322 -9.572 1.845 3.499 1.00 0.00 H new ATOM 0 HB VAL A 322 -7.533 3.157 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -6.181 1.150 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -7.656 1.046 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -7.574 0.206 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -6.127 2.493 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -7.574 1.764 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -7.503 3.521 2.718 1.00 0.00 H new ATOM 882 N ASN A 323 -10.315 0.371 5.155 1.00 0.00 N ATOM 883 CA ASN A 323 -10.899 -0.661 5.961 1.00 0.00 C ATOM 884 C ASN A 323 -9.805 -1.697 6.147 1.00 0.00 C ATOM 885 O ASN A 323 -8.945 -1.934 5.295 1.00 0.00 O ATOM 886 CB ASN A 323 -12.151 -1.211 5.213 1.00 0.00 C ATOM 887 CG ASN A 323 -12.904 -2.256 6.035 1.00 0.00 C ATOM 888 OD1 ASN A 323 -13.488 -1.958 7.076 1.00 0.00 O ATOM 889 ND2 ASN A 323 -12.831 -3.534 5.584 1.00 0.00 N ATOM 0 H ASN A 323 -10.002 0.003 4.256 1.00 0.00 H new ATOM 0 HA ASN A 323 -11.244 -0.325 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -12.822 -0.385 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -11.841 -1.651 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -13.270 -4.287 6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -12.337 -3.741 4.716 1.00 0.00 H new ATOM 896 N VAL A 324 -9.873 -2.394 7.304 1.00 0.00 N ATOM 897 CA VAL A 324 -8.976 -3.507 7.643 1.00 0.00 C ATOM 898 C VAL A 324 -9.426 -4.762 6.879 1.00 0.00 C ATOM 899 O VAL A 324 -10.579 -5.197 6.925 1.00 0.00 O ATOM 900 CB VAL A 324 -8.816 -3.697 9.162 1.00 0.00 C ATOM 901 CG1 VAL A 324 -10.165 -3.936 9.866 1.00 0.00 C ATOM 902 CG2 VAL A 324 -7.792 -4.805 9.503 1.00 0.00 C ATOM 0 H VAL A 324 -10.560 -2.193 8.031 1.00 0.00 H new ATOM 0 HA VAL A 324 -7.963 -3.276 7.315 1.00 0.00 H new ATOM 0 HB VAL A 324 -8.418 -2.759 9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 324 -9.999 -4.064 10.936 1.00 0.00 H new ATOM 0 HG12 VAL A 324 -10.819 -3.080 9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 324 -10.633 -4.833 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 324 -7.711 -4.905 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 324 -8.124 -5.751 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 324 -6.819 -4.541 9.089 1.00 0.00 H new ATOM 912 N GLY A 325 -8.484 -5.298 6.060 1.00 0.00 N ATOM 913 CA GLY A 325 -8.718 -6.363 5.094 1.00 0.00 C ATOM 914 C GLY A 325 -9.203 -5.908 3.733 1.00 0.00 C ATOM 915 O GLY A 325 -9.876 -6.659 3.035 1.00 0.00 O ATOM 0 H GLY A 325 -7.515 -4.979 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -7.792 -6.922 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.451 -7.054 5.510 1.00 0.00 H new ATOM 919 N ASP A 326 -8.835 -4.677 3.275 1.00 0.00 N ATOM 920 CA ASP A 326 -9.116 -4.218 1.901 1.00 0.00 C ATOM 921 C ASP A 326 -7.938 -4.546 1.014 1.00 0.00 C ATOM 922 O ASP A 326 -6.792 -4.546 1.451 1.00 0.00 O ATOM 923 CB ASP A 326 -9.503 -2.698 1.731 1.00 0.00 C ATOM 924 CG ASP A 326 -8.440 -1.596 1.928 1.00 0.00 C ATOM 925 OD1 ASP A 326 -7.479 -1.528 1.118 1.00 0.00 O ATOM 926 OD2 ASP A 326 -8.643 -0.747 2.828 1.00 0.00 O ATOM 0 H ASP A 326 -8.342 -3.991 3.846 1.00 0.00 H new ATOM 0 HA ASP A 326 -10.016 -4.758 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 326 -9.909 -2.579 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 326 -10.314 -2.492 2.429 1.00 0.00 H new ATOM 931 N VAL A 327 -8.162 -4.786 -0.292 1.00 0.00 N ATOM 932 CA VAL A 327 -7.094 -5.016 -1.253 1.00 0.00 C ATOM 933 C VAL A 327 -7.154 -3.880 -2.287 1.00 0.00 C ATOM 934 O VAL A 327 -8.205 -3.486 -2.807 1.00 0.00 O ATOM 935 CB VAL A 327 -7.044 -6.470 -1.753 1.00 0.00 C ATOM 936 CG1 VAL A 327 -8.453 -7.057 -1.944 1.00 0.00 C ATOM 937 CG2 VAL A 327 -6.159 -6.661 -3.002 1.00 0.00 C ATOM 0 H VAL A 327 -9.096 -4.824 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 327 -6.104 -4.952 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 327 -6.557 -7.041 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.374 -8.085 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -8.986 -7.040 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -8.999 -6.462 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -6.170 -7.710 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -6.544 -6.049 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -5.137 -6.360 -2.773 1.00 0.00 H new ATOM 947 N VAL A 328 -5.941 -3.302 -2.491 1.00 0.00 N ATOM 948 CA VAL A 328 -5.508 -2.116 -3.233 1.00 0.00 C ATOM 949 C VAL A 328 -4.307 -2.516 -4.032 1.00 0.00 C ATOM 950 O VAL A 328 -3.780 -3.625 -4.007 1.00 0.00 O ATOM 951 CB VAL A 328 -5.185 -0.921 -2.321 1.00 0.00 C ATOM 952 CG1 VAL A 328 -6.443 -0.072 -2.118 1.00 0.00 C ATOM 953 CG2 VAL A 328 -4.659 -1.406 -0.956 1.00 0.00 C ATOM 0 H VAL A 328 -5.125 -3.740 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.321 -1.776 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 328 -4.411 -0.319 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -6.211 0.774 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -6.794 0.294 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.221 -0.679 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -4.436 -0.545 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.416 -2.024 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -3.752 -1.992 -1.103 1.00 0.00 H new ATOM 963 N GLU A 329 -3.827 -1.505 -4.763 1.00 0.00 N ATOM 964 CA GLU A 329 -2.604 -1.469 -5.534 1.00 0.00 C ATOM 965 C GLU A 329 -1.815 -0.481 -4.748 1.00 0.00 C ATOM 966 O GLU A 329 -2.410 0.392 -4.100 1.00 0.00 O ATOM 967 CB GLU A 329 -2.907 -1.002 -6.985 1.00 0.00 C ATOM 968 CG GLU A 329 -1.699 -0.795 -7.917 1.00 0.00 C ATOM 969 CD GLU A 329 -2.188 -0.303 -9.279 1.00 0.00 C ATOM 970 OE1 GLU A 329 -2.747 0.825 -9.337 1.00 0.00 O ATOM 971 OE2 GLU A 329 -2.002 -1.045 -10.280 1.00 0.00 O ATOM 0 H GLU A 329 -4.335 -0.623 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 329 -2.087 -2.420 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -3.569 -1.735 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -3.459 -0.063 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.010 -0.071 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.149 -1.729 -8.031 1.00 0.00 H new ATOM 978 N VAL A 330 -0.471 -0.617 -4.756 1.00 0.00 N ATOM 979 CA VAL A 330 0.351 0.349 -4.004 1.00 0.00 C ATOM 980 C VAL A 330 1.576 0.450 -4.836 1.00 0.00 C ATOM 981 O VAL A 330 1.989 -0.532 -5.417 1.00 0.00 O ATOM 982 CB VAL A 330 0.689 -0.121 -2.578 1.00 0.00 C ATOM 983 CG1 VAL A 330 -0.415 0.255 -1.573 1.00 0.00 C ATOM 984 CG2 VAL A 330 0.904 -1.646 -2.517 1.00 0.00 C ATOM 0 H VAL A 330 0.045 -1.347 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 330 -0.166 1.296 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 330 1.613 0.389 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 330 -0.137 -0.095 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 330 -0.537 1.338 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 330 -1.354 -0.211 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 330 1.141 -1.939 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 330 -0.004 -2.155 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 330 1.728 -1.924 -3.174 1.00 0.00 H new ATOM 994 N MET A 331 2.218 1.623 -4.955 1.00 0.00 N ATOM 995 CA MET A 331 3.405 1.806 -5.777 1.00 0.00 C ATOM 996 C MET A 331 4.583 1.913 -4.850 1.00 0.00 C ATOM 997 O MET A 331 4.477 2.489 -3.782 1.00 0.00 O ATOM 998 CB MET A 331 3.227 3.138 -6.573 1.00 0.00 C ATOM 999 CG MET A 331 4.372 3.570 -7.503 1.00 0.00 C ATOM 1000 SD MET A 331 4.275 5.305 -8.058 1.00 0.00 S ATOM 1001 CE MET A 331 2.901 5.168 -9.234 1.00 0.00 C ATOM 0 H MET A 331 1.918 2.472 -4.476 1.00 0.00 H new ATOM 0 HA MET A 331 3.556 0.980 -6.472 1.00 0.00 H new ATOM 0 HB2 MET A 331 2.321 3.052 -7.173 1.00 0.00 H new ATOM 0 HB3 MET A 331 3.058 3.939 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 331 5.320 3.418 -6.987 1.00 0.00 H new ATOM 0 HG3 MET A 331 4.378 2.921 -8.378 1.00 0.00 H new ATOM 0 HE1 MET A 331 2.654 6.156 -9.622 1.00 0.00 H new ATOM 0 HE2 MET A 331 3.191 4.517 -10.058 1.00 0.00 H new ATOM 0 HE3 MET A 331 2.031 4.748 -8.729 1.00 0.00 H new ATOM 1011 N VAL A 332 5.749 1.340 -5.196 1.00 0.00 N ATOM 1012 CA VAL A 332 6.905 1.275 -4.253 1.00 0.00 C ATOM 1013 C VAL A 332 7.606 2.585 -3.923 1.00 0.00 C ATOM 1014 O VAL A 332 8.028 3.305 -4.819 1.00 0.00 O ATOM 1015 CB VAL A 332 8.045 0.360 -4.815 1.00 0.00 C ATOM 1016 CG1 VAL A 332 9.290 0.252 -3.894 1.00 0.00 C ATOM 1017 CG2 VAL A 332 7.570 -1.061 -5.166 1.00 0.00 C ATOM 0 H VAL A 332 5.926 0.917 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 332 6.421 0.902 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 332 8.341 0.876 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 332 10.030 -0.400 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 332 9.720 1.243 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 332 8.995 -0.163 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 332 8.410 -1.641 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 332 7.174 -1.543 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 332 6.790 -1.007 -5.925 1.00 0.00 H new ATOM 1027 N LEU A 333 7.807 2.912 -2.619 1.00 0.00 N ATOM 1028 CA LEU A 333 8.590 4.017 -2.186 1.00 0.00 C ATOM 1029 C LEU A 333 9.572 3.276 -1.283 1.00 0.00 C ATOM 1030 O LEU A 333 10.091 2.201 -1.548 1.00 0.00 O ATOM 1031 CB LEU A 333 7.871 5.241 -1.490 1.00 0.00 C ATOM 1032 CG LEU A 333 6.755 6.015 -2.253 1.00 0.00 C ATOM 1033 CD1 LEU A 333 7.153 6.455 -3.674 1.00 0.00 C ATOM 1034 CD2 LEU A 333 5.380 5.314 -2.217 1.00 0.00 C ATOM 0 H LEU A 333 7.403 2.379 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 333 9.006 4.579 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 333 7.437 4.877 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 333 8.643 5.962 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 333 6.638 6.938 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 333 6.322 6.987 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 333 8.020 7.113 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 333 7.399 5.577 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 333 4.653 5.910 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 333 5.462 4.328 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 333 5.053 5.208 -1.183 1.00 0.00 H new ATOM 1046 N ASP A 334 9.834 3.832 -0.121 1.00 0.00 N ATOM 1047 CA ASP A 334 11.058 3.647 0.661 1.00 0.00 C ATOM 1048 C ASP A 334 11.504 2.313 1.187 1.00 0.00 C ATOM 1049 O ASP A 334 10.925 1.741 2.098 1.00 0.00 O ATOM 1050 CB ASP A 334 11.230 4.724 1.773 1.00 0.00 C ATOM 1051 CG ASP A 334 11.021 6.123 1.182 1.00 0.00 C ATOM 1052 OD1 ASP A 334 11.828 6.519 0.300 1.00 0.00 O ATOM 1053 OD2 ASP A 334 10.051 6.809 1.605 1.00 0.00 O ATOM 0 H ASP A 334 9.172 4.459 0.336 1.00 0.00 H new ATOM 0 HA ASP A 334 11.740 3.759 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 334 10.514 4.548 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 334 12.225 4.650 2.212 1.00 0.00 H new ATOM 1058 N ILE A 335 12.627 1.835 0.604 1.00 0.00 N ATOM 1059 CA ILE A 335 13.270 0.583 0.894 1.00 0.00 C ATOM 1060 C ILE A 335 14.475 0.843 1.774 1.00 0.00 C ATOM 1061 O ILE A 335 15.406 1.587 1.465 1.00 0.00 O ATOM 1062 CB ILE A 335 13.507 -0.227 -0.374 1.00 0.00 C ATOM 1063 CG1 ILE A 335 14.058 -1.658 -0.133 1.00 0.00 C ATOM 1064 CG2 ILE A 335 14.307 0.573 -1.428 1.00 0.00 C ATOM 1065 CD1 ILE A 335 13.303 -2.458 0.935 1.00 0.00 C ATOM 0 H ILE A 335 13.118 2.361 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 335 12.623 -0.073 1.476 1.00 0.00 H new ATOM 0 HB ILE A 335 12.518 -0.403 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 335 14.025 -2.209 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 335 15.106 -1.586 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 335 14.454 -0.041 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 335 13.755 1.474 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 335 15.277 0.851 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 335 13.755 -3.445 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 335 13.357 -1.933 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 335 12.260 -2.566 0.639 1.00 0.00 H new ATOM 1077 N ASP A 336 14.411 0.249 2.988 1.00 0.00 N ATOM 1078 CA ASP A 336 15.399 0.376 4.047 1.00 0.00 C ATOM 1079 C ASP A 336 15.890 -1.025 4.216 1.00 0.00 C ATOM 1080 O ASP A 336 15.199 -1.872 4.768 1.00 0.00 O ATOM 1081 CB ASP A 336 14.738 0.972 5.339 1.00 0.00 C ATOM 1082 CG ASP A 336 15.710 1.774 6.213 1.00 0.00 C ATOM 1083 OD1 ASP A 336 16.886 1.967 5.809 1.00 0.00 O ATOM 1084 OD2 ASP A 336 15.263 2.231 7.300 1.00 0.00 O ATOM 0 H ASP A 336 13.631 -0.353 3.252 1.00 0.00 H new ATOM 0 HA ASP A 336 16.218 1.060 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 336 13.908 1.616 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 336 14.318 0.158 5.930 1.00 0.00 H new ATOM 1089 N GLU A 337 17.103 -1.313 3.679 1.00 0.00 N ATOM 1090 CA GLU A 337 17.692 -2.646 3.513 1.00 0.00 C ATOM 1091 C GLU A 337 18.257 -3.270 4.775 1.00 0.00 C ATOM 1092 O GLU A 337 18.583 -4.451 4.850 1.00 0.00 O ATOM 1093 CB GLU A 337 18.799 -2.593 2.428 1.00 0.00 C ATOM 1094 CG GLU A 337 18.444 -1.706 1.221 1.00 0.00 C ATOM 1095 CD GLU A 337 19.639 -1.711 0.278 1.00 0.00 C ATOM 1096 OE1 GLU A 337 19.990 -2.811 -0.228 1.00 0.00 O ATOM 1097 OE2 GLU A 337 20.228 -0.616 0.065 1.00 0.00 O ATOM 0 H GLU A 337 17.720 -0.577 3.336 1.00 0.00 H new ATOM 0 HA GLU A 337 16.864 -3.289 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 337 19.720 -2.224 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 337 18.999 -3.605 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.556 -2.085 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 337 18.217 -0.691 1.546 1.00 0.00 H new ATOM 1104 N GLU A 338 18.341 -2.406 5.800 1.00 0.00 N ATOM 1105 CA GLU A 338 18.743 -2.674 7.171 1.00 0.00 C ATOM 1106 C GLU A 338 17.536 -3.027 8.042 1.00 0.00 C ATOM 1107 O GLU A 338 17.657 -3.808 8.979 1.00 0.00 O ATOM 1108 CB GLU A 338 19.457 -1.430 7.762 1.00 0.00 C ATOM 1109 CG GLU A 338 18.793 -0.117 7.311 1.00 0.00 C ATOM 1110 CD GLU A 338 19.225 1.041 8.207 1.00 0.00 C ATOM 1111 OE1 GLU A 338 20.457 1.294 8.294 1.00 0.00 O ATOM 1112 OE2 GLU A 338 18.332 1.693 8.810 1.00 0.00 O ATOM 0 H GLU A 338 18.107 -1.422 5.669 1.00 0.00 H new ATOM 0 HA GLU A 338 19.425 -3.525 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 338 19.445 -1.488 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 338 20.503 -1.432 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 338 19.063 0.096 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 338 17.709 -0.223 7.342 1.00 0.00 H new ATOM 1119 N ARG A 339 16.345 -2.417 7.756 1.00 0.00 N ATOM 1120 CA ARG A 339 15.108 -2.585 8.523 1.00 0.00 C ATOM 1121 C ARG A 339 14.148 -3.531 7.887 1.00 0.00 C ATOM 1122 O ARG A 339 13.392 -4.227 8.566 1.00 0.00 O ATOM 1123 CB ARG A 339 14.423 -1.230 8.875 1.00 0.00 C ATOM 1124 CG ARG A 339 15.345 -0.200 9.564 1.00 0.00 C ATOM 1125 CD ARG A 339 16.104 -0.727 10.793 1.00 0.00 C ATOM 1126 NE ARG A 339 16.861 0.419 11.407 1.00 0.00 N ATOM 1127 CZ ARG A 339 17.855 0.252 12.334 1.00 0.00 C ATOM 1128 NH1 ARG A 339 18.210 -0.992 12.766 1.00 0.00 N ATOM 1129 NH2 ARG A 339 18.501 1.348 12.830 1.00 0.00 N ATOM 0 H ARG A 339 16.235 -1.784 6.964 1.00 0.00 H new ATOM 0 HA ARG A 339 15.419 -3.039 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 339 14.029 -0.789 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 339 13.571 -1.427 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 339 16.070 0.161 8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 339 14.744 0.658 9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 339 15.408 -1.153 11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 339 16.790 -1.523 10.503 1.00 0.00 H new ATOM 0 HE ARG A 339 16.622 1.368 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 339 17.733 -1.815 12.398 1.00 0.00 H new ATOM 0 HH12 ARG A 339 18.953 -1.099 13.457 1.00 0.00 H new ATOM 0 HH21 ARG A 339 18.242 2.281 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 339 19.243 1.234 13.521 1.00 0.00 H new ATOM 1143 N ARG A 340 14.219 -3.589 6.544 1.00 0.00 N ATOM 1144 CA ARG A 340 13.550 -4.499 5.637 1.00 0.00 C ATOM 1145 C ARG A 340 12.076 -4.203 5.500 1.00 0.00 C ATOM 1146 O ARG A 340 11.185 -5.033 5.650 1.00 0.00 O ATOM 1147 CB ARG A 340 14.004 -5.947 5.955 1.00 0.00 C ATOM 1148 CG ARG A 340 15.543 -6.101 5.843 1.00 0.00 C ATOM 1149 CD ARG A 340 16.088 -7.376 6.508 1.00 0.00 C ATOM 1150 NE ARG A 340 15.524 -8.596 5.828 1.00 0.00 N ATOM 1151 CZ ARG A 340 16.120 -9.226 4.768 1.00 0.00 C ATOM 1152 NH1 ARG A 340 17.287 -8.763 4.234 1.00 0.00 N ATOM 1153 NH2 ARG A 340 15.529 -10.334 4.231 1.00 0.00 N ATOM 0 H ARG A 340 14.806 -2.930 6.032 1.00 0.00 H new ATOM 0 HA ARG A 340 13.860 -4.346 4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 340 13.683 -6.217 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 340 13.518 -6.640 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 340 15.823 -6.103 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 340 16.020 -5.233 6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 340 17.176 -7.389 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 340 15.824 -7.385 7.566 1.00 0.00 H new ATOM 0 HE ARG A 340 14.645 -8.976 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 340 17.732 -7.933 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 340 17.714 -9.247 3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 340 14.653 -10.684 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 340 15.963 -10.812 3.441 1.00 0.00 H new ATOM 1167 N ARG A 341 11.874 -2.900 5.196 1.00 0.00 N ATOM 1168 CA ARG A 341 10.614 -2.218 4.994 1.00 0.00 C ATOM 1169 C ARG A 341 10.684 -1.574 3.623 1.00 0.00 C ATOM 1170 O ARG A 341 11.691 -0.968 3.279 1.00 0.00 O ATOM 1171 CB ARG A 341 10.310 -1.194 6.137 1.00 0.00 C ATOM 1172 CG ARG A 341 11.056 0.165 6.096 1.00 0.00 C ATOM 1173 CD ARG A 341 10.220 1.350 5.560 1.00 0.00 C ATOM 1174 NE ARG A 341 9.099 1.685 6.518 1.00 0.00 N ATOM 1175 CZ ARG A 341 7.761 1.563 6.237 1.00 0.00 C ATOM 1176 NH1 ARG A 341 7.328 1.027 5.060 1.00 0.00 N ATOM 1177 NH2 ARG A 341 6.845 1.977 7.161 1.00 0.00 N ATOM 0 H ARG A 341 12.663 -2.264 5.081 1.00 0.00 H new ATOM 0 HA ARG A 341 9.780 -2.919 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 341 9.239 -0.991 6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 341 10.538 -1.674 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 341 11.398 0.406 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 341 11.945 0.056 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 341 10.860 2.221 5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 341 9.808 1.099 4.583 1.00 0.00 H new ATOM 0 HE ARG A 341 9.357 2.028 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 341 8.004 0.707 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 341 6.328 0.947 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 341 7.158 2.372 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 341 5.848 1.892 6.964 1.00 0.00 H new ATOM 1191 N ILE A 342 9.638 -1.727 2.785 1.00 0.00 N ATOM 1192 CA ILE A 342 9.476 -1.218 1.421 1.00 0.00 C ATOM 1193 C ILE A 342 8.362 -0.245 1.547 1.00 0.00 C ATOM 1194 O ILE A 342 7.360 -0.634 2.146 1.00 0.00 O ATOM 1195 CB ILE A 342 9.033 -2.429 0.595 1.00 0.00 C ATOM 1196 CG1 ILE A 342 9.643 -3.755 1.154 1.00 0.00 C ATOM 1197 CG2 ILE A 342 9.313 -2.090 -0.878 1.00 0.00 C ATOM 1198 CD1 ILE A 342 9.222 -5.012 0.435 1.00 0.00 C ATOM 0 H ILE A 342 8.817 -2.257 3.078 1.00 0.00 H new ATOM 0 HA ILE A 342 10.356 -0.761 0.969 1.00 0.00 H new ATOM 0 HB ILE A 342 7.965 -2.631 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 342 10.730 -3.680 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 342 9.368 -3.848 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 342 9.012 -2.927 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 342 8.748 -1.202 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 342 10.378 -1.900 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 342 9.700 -5.874 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 342 8.139 -5.121 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 342 9.522 -4.951 -0.611 1.00 0.00 H new ATOM 1210 N SER A 343 8.418 1.051 1.064 1.00 0.00 N ATOM 1211 CA SER A 343 7.283 1.880 1.565 1.00 0.00 C ATOM 1212 C SER A 343 6.326 1.969 0.446 1.00 0.00 C ATOM 1213 O SER A 343 6.447 2.807 -0.416 1.00 0.00 O ATOM 1214 CB SER A 343 7.707 3.288 2.069 1.00 0.00 C ATOM 1215 OG SER A 343 6.779 3.900 2.961 1.00 0.00 O ATOM 0 H SER A 343 9.106 1.476 0.442 1.00 0.00 H new ATOM 0 HA SER A 343 6.843 1.411 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 343 8.672 3.206 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 343 7.849 3.941 1.208 1.00 0.00 H new ATOM 0 HG SER A 343 7.117 4.779 3.233 1.00 0.00 H new ATOM 1221 N LEU A 344 5.312 1.093 0.378 1.00 0.00 N ATOM 1222 CA LEU A 344 4.528 1.045 -0.830 1.00 0.00 C ATOM 1223 C LEU A 344 3.306 1.872 -0.609 1.00 0.00 C ATOM 1224 O LEU A 344 2.593 1.661 0.359 1.00 0.00 O ATOM 1225 CB LEU A 344 4.010 -0.416 -1.055 1.00 0.00 C ATOM 1226 CG LEU A 344 4.744 -1.567 -0.341 1.00 0.00 C ATOM 1227 CD1 LEU A 344 3.715 -2.590 0.170 1.00 0.00 C ATOM 1228 CD2 LEU A 344 5.823 -2.204 -1.199 1.00 0.00 C ATOM 0 H LEU A 344 5.037 0.444 1.115 1.00 0.00 H new ATOM 0 HA LEU A 344 5.132 1.389 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.964 -0.449 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.037 -0.618 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 344 5.278 -1.153 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.233 -3.405 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.034 -2.104 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.148 -2.987 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.304 -3.008 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.375 -2.609 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 344 6.566 -1.453 -1.466 1.00 0.00 H new ATOM 1240 N GLY A 345 2.936 2.688 -1.595 1.00 0.00 N ATOM 1241 CA GLY A 345 1.745 3.510 -1.439 1.00 0.00 C ATOM 1242 C GLY A 345 1.138 3.814 -2.776 1.00 0.00 C ATOM 1243 O GLY A 345 1.776 4.344 -3.675 1.00 0.00 O ATOM 0 H GLY A 345 3.428 2.794 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 345 1.018 2.993 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 345 2.001 4.439 -0.930 1.00 0.00 H new ATOM 1247 N LEU A 346 -0.165 3.443 -2.928 1.00 0.00 N ATOM 1248 CA LEU A 346 -1.086 3.716 -4.017 1.00 0.00 C ATOM 1249 C LEU A 346 -2.458 4.012 -3.445 1.00 0.00 C ATOM 1250 O LEU A 346 -2.741 5.171 -3.164 1.00 0.00 O ATOM 1251 CB LEU A 346 -1.122 2.985 -5.374 1.00 0.00 C ATOM 1252 CG LEU A 346 -1.745 3.675 -6.608 1.00 0.00 C ATOM 1253 CD1 LEU A 346 -3.109 4.343 -6.400 1.00 0.00 C ATOM 1254 CD2 LEU A 346 -0.726 4.635 -7.230 1.00 0.00 C ATOM 0 H LEU A 346 -0.622 2.889 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 346 -0.555 4.557 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 346 -0.094 2.728 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 346 -1.657 2.047 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 346 -1.979 2.867 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 346 -3.441 4.791 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 346 -3.835 3.596 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 346 -3.023 5.117 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 346 -1.168 5.121 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 346 -0.444 5.391 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 346 0.159 4.078 -7.536 1.00 0.00 H new ATOM 1266 N LYS A 347 -3.348 2.968 -3.318 1.00 0.00 N ATOM 1267 CA LYS A 347 -4.741 3.045 -2.816 1.00 0.00 C ATOM 1268 C LYS A 347 -5.791 2.776 -3.900 1.00 0.00 C ATOM 1269 O LYS A 347 -6.976 3.060 -3.710 1.00 0.00 O ATOM 1270 CB LYS A 347 -5.224 4.275 -1.956 1.00 0.00 C ATOM 1271 CG LYS A 347 -4.525 4.439 -0.596 1.00 0.00 C ATOM 1272 CD LYS A 347 -4.916 5.684 0.234 1.00 0.00 C ATOM 1273 CE LYS A 347 -4.637 7.046 -0.425 1.00 0.00 C ATOM 1274 NZ LYS A 347 -3.197 7.253 -0.698 1.00 0.00 N ATOM 0 H LYS A 347 -3.088 2.016 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 347 -4.665 2.239 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -5.073 5.185 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -6.296 4.180 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -4.730 3.551 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -3.449 4.467 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -5.980 5.624 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -4.383 5.646 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -5.195 7.117 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -5.000 7.843 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 -3.038 8.236 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -2.649 7.062 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 -2.890 6.607 -1.453 1.00 0.00 H new ATOM 1288 N GLN A 348 -5.408 2.146 -5.055 1.00 0.00 N ATOM 1289 CA GLN A 348 -6.335 1.847 -6.133 1.00 0.00 C ATOM 1290 C GLN A 348 -6.764 0.393 -6.130 1.00 0.00 C ATOM 1291 O GLN A 348 -6.236 -0.437 -6.861 1.00 0.00 O ATOM 1292 CB GLN A 348 -5.807 2.296 -7.517 1.00 0.00 C ATOM 1293 CG GLN A 348 -6.918 2.413 -8.589 1.00 0.00 C ATOM 1294 CD GLN A 348 -6.770 1.436 -9.756 1.00 0.00 C ATOM 1295 OE1 GLN A 348 -6.583 1.877 -10.889 1.00 0.00 O ATOM 1296 NE2 GLN A 348 -6.838 0.107 -9.516 1.00 0.00 N ATOM 0 H GLN A 348 -4.451 1.844 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 348 -7.228 2.441 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 348 -5.310 3.260 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 348 -5.055 1.585 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 348 -7.885 2.249 -8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 348 -6.924 3.430 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 348 -6.994 -0.233 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 348 -6.733 -0.556 -10.284 1.00 0.00 H new ATOM 1305 N CYS A 349 -7.763 0.106 -5.269 1.00 0.00 N ATOM 1306 CA CYS A 349 -8.563 -1.071 -4.961 1.00 0.00 C ATOM 1307 C CYS A 349 -8.914 -2.111 -6.026 1.00 0.00 C ATOM 1308 O CYS A 349 -8.972 -1.871 -7.231 1.00 0.00 O ATOM 1309 CB CYS A 349 -9.836 -0.675 -4.154 1.00 0.00 C ATOM 1310 SG CYS A 349 -11.057 0.329 -5.062 1.00 0.00 S ATOM 0 H CYS A 349 -8.075 0.862 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 349 -7.829 -1.635 -4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 349 -10.325 -1.586 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 349 -9.526 -0.124 -3.266 1.00 0.00 H new ATOM 0 HG CYS A 349 -12.067 0.590 -4.286 1.00 0.00 H new ATOM 1316 N LYS A 350 -9.213 -3.318 -5.495 1.00 0.00 N ATOM 1317 CA LYS A 350 -9.664 -4.532 -6.152 1.00 0.00 C ATOM 1318 C LYS A 350 -11.133 -4.510 -6.593 1.00 0.00 C ATOM 1319 O LYS A 350 -11.937 -3.671 -6.180 1.00 0.00 O ATOM 1320 CB LYS A 350 -9.459 -5.667 -5.113 1.00 0.00 C ATOM 1321 CG LYS A 350 -9.417 -7.127 -5.599 1.00 0.00 C ATOM 1322 CD LYS A 350 -8.293 -7.408 -6.609 1.00 0.00 C ATOM 1323 CE LYS A 350 -8.171 -8.889 -6.996 1.00 0.00 C ATOM 1324 NZ LYS A 350 -7.802 -9.727 -5.830 1.00 0.00 N ATOM 0 H LYS A 350 -9.130 -3.464 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 350 -9.096 -4.664 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 350 -8.524 -5.468 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 350 -10.260 -5.588 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 350 -9.293 -7.784 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 350 -10.375 -7.377 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 350 -8.469 -6.819 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 350 -7.345 -7.072 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 350 -9.117 -9.237 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 350 -7.420 -9.001 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -7.547 -10.681 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 -6.991 -9.300 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 -8.609 -9.788 -5.177 1.00 0.00 H new ATOM 1338 N ALA A 351 -11.533 -5.487 -7.444 1.00 0.00 N ATOM 1339 CA ALA A 351 -12.886 -5.684 -7.932 1.00 0.00 C ATOM 1340 C ALA A 351 -13.534 -6.776 -7.097 1.00 0.00 C ATOM 1341 O ALA A 351 -13.462 -7.966 -7.395 1.00 0.00 O ATOM 1342 CB ALA A 351 -12.878 -6.016 -9.438 1.00 0.00 C ATOM 0 H ALA A 351 -10.881 -6.179 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 351 -13.471 -4.770 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 351 -13.901 -6.160 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 351 -12.421 -5.194 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 351 -12.306 -6.929 -9.606 1.00 0.00 H new ATOM 1348 N ASN A 352 -14.142 -6.297 -5.982 1.00 0.00 N ATOM 1349 CA ASN A 352 -14.795 -7.004 -4.895 1.00 0.00 C ATOM 1350 C ASN A 352 -13.734 -7.373 -3.833 1.00 0.00 C ATOM 1351 O ASN A 352 -13.401 -8.549 -3.697 1.00 0.00 O ATOM 1352 CB ASN A 352 -15.721 -8.182 -5.334 1.00 0.00 C ATOM 1353 CG ASN A 352 -16.687 -7.727 -6.443 1.00 0.00 C ATOM 1354 OD1 ASN A 352 -17.108 -6.569 -6.523 1.00 0.00 O ATOM 1355 ND2 ASN A 352 -17.029 -8.677 -7.350 1.00 0.00 N ATOM 0 H ASN A 352 -14.180 -5.290 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 352 -15.519 -6.329 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 352 -15.115 -9.015 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 352 -16.288 -8.545 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 352 -17.650 -8.443 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 352 -16.665 -9.625 -7.257 1.00 0.00 H new ATOM 1362 N PRO A 353 -13.158 -6.412 -3.045 1.00 0.00 N ATOM 1363 CA PRO A 353 -12.048 -6.611 -2.089 1.00 0.00 C ATOM 1364 C PRO A 353 -12.264 -7.611 -0.944 1.00 0.00 C ATOM 1365 O PRO A 353 -11.277 -7.961 -0.308 1.00 0.00 O ATOM 1366 CB PRO A 353 -11.777 -5.191 -1.502 1.00 0.00 C ATOM 1367 CG PRO A 353 -12.987 -4.343 -1.912 1.00 0.00 C ATOM 1368 CD PRO A 353 -13.406 -4.980 -3.229 1.00 0.00 C ATOM 0 HA PRO A 353 -11.221 -7.064 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -11.672 -5.228 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -10.852 -4.772 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -13.783 -4.387 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -12.723 -3.293 -2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -14.456 -4.785 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -12.828 -4.582 -4.063 1.00 0.00 H new