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 Set 1.1: A 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 347 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0565) USER MOD Single : A 274 TYR OH : rot 180:sc= 0 USER MOD Single : A 278 THR OG1 : rot 170:sc= 0.0155 USER MOD Single : A 279 LYS NZ :NH3+ 167:sc= 0.0594 (180deg=0.0162) 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= 0.361 K(o=0.36,f=-4!) USER MOD Single : A 288 THR OG1 : rot -79:sc= 1.35 USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 CYS SG : rot 140:sc= 0 USER MOD Single : A 305 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 323 ASN : amide:sc= -0.0686 K(o=-0.069,f=-2.6!) USER MOD Single : A 343 SER OG : rot -40:sc= 0.00047 USER MOD Single : A 348 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 349 CYS SG : rot -51:sc= 0.079 USER MOD Single : A 350 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 126 N TYR A 274 14.532 -3.580 -4.065 1.00 0.00 N ATOM 127 CA TYR A 274 13.547 -3.319 -5.108 1.00 0.00 C ATOM 128 C TYR A 274 13.613 -1.834 -5.506 1.00 0.00 C ATOM 129 O TYR A 274 14.044 -1.018 -4.690 1.00 0.00 O ATOM 130 CB TYR A 274 12.106 -3.637 -4.570 1.00 0.00 C ATOM 131 CG TYR A 274 11.744 -5.104 -4.399 1.00 0.00 C ATOM 132 CD1 TYR A 274 12.490 -6.176 -4.876 1.00 0.00 C ATOM 133 CD2 TYR A 274 10.537 -5.387 -3.775 1.00 0.00 C ATOM 134 CE1 TYR A 274 12.031 -7.474 -4.733 1.00 0.00 C ATOM 135 CE2 TYR A 274 10.072 -6.682 -3.634 1.00 0.00 C ATOM 136 CZ TYR A 274 10.824 -7.731 -4.115 1.00 0.00 C ATOM 137 OH TYR A 274 10.360 -9.055 -3.957 1.00 0.00 O ATOM 0 HA TYR A 274 13.762 -3.949 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 274 11.987 -3.144 -3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 274 11.383 -3.186 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 274 13.437 -5.994 -5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 274 9.943 -4.572 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 274 12.624 -8.295 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 274 9.125 -6.870 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 274 9.493 -9.046 -3.499 1.00 0.00 H new ATOM 147 N PRO A 275 13.190 -1.391 -6.717 1.00 0.00 N ATOM 148 CA PRO A 275 13.140 0.019 -7.095 1.00 0.00 C ATOM 149 C PRO A 275 11.897 0.751 -6.534 1.00 0.00 C ATOM 150 O PRO A 275 11.101 0.201 -5.773 1.00 0.00 O ATOM 151 CB PRO A 275 13.161 -0.040 -8.638 1.00 0.00 C ATOM 152 CG PRO A 275 12.516 -1.374 -9.022 1.00 0.00 C ATOM 153 CD PRO A 275 12.646 -2.247 -7.770 1.00 0.00 C ATOM 0 HA PRO A 275 13.965 0.599 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 275 12.610 0.797 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 275 14.181 0.022 -9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 275 11.472 -1.241 -9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 275 13.022 -1.827 -9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 275 11.677 -2.652 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 275 13.303 -3.096 -7.957 1.00 0.00 H new ATOM 161 N GLU A 276 11.740 2.040 -6.908 1.00 0.00 N ATOM 162 CA GLU A 276 10.672 2.909 -6.441 1.00 0.00 C ATOM 163 C GLU A 276 9.897 3.420 -7.642 1.00 0.00 C ATOM 164 O GLU A 276 10.498 3.978 -8.562 1.00 0.00 O ATOM 165 CB GLU A 276 11.252 4.116 -5.648 1.00 0.00 C ATOM 166 CG GLU A 276 12.071 3.701 -4.409 1.00 0.00 C ATOM 167 CD GLU A 276 12.512 4.948 -3.644 1.00 0.00 C ATOM 168 OE1 GLU A 276 13.298 5.747 -4.219 1.00 0.00 O ATOM 169 OE2 GLU A 276 12.073 5.118 -2.475 1.00 0.00 O ATOM 0 H GLU A 276 12.375 2.502 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 276 10.016 2.344 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 276 11.885 4.706 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 276 10.432 4.761 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 276 11.472 3.059 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 276 12.943 3.122 -4.714 1.00 0.00 H new ATOM 176 N GLY A 277 8.539 3.264 -7.675 1.00 0.00 N ATOM 177 CA GLY A 277 7.739 3.827 -8.776 1.00 0.00 C ATOM 178 C GLY A 277 7.219 2.822 -9.742 1.00 0.00 C ATOM 179 O GLY A 277 6.547 3.106 -10.724 1.00 0.00 O ATOM 0 H GLY A 277 8.000 2.765 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 277 6.897 4.374 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 277 8.349 4.550 -9.318 1.00 0.00 H new ATOM 183 N THR A 278 7.504 1.582 -9.370 1.00 0.00 N ATOM 184 CA THR A 278 7.062 0.294 -9.899 1.00 0.00 C ATOM 185 C THR A 278 5.909 -0.072 -8.982 1.00 0.00 C ATOM 186 O THR A 278 6.020 0.098 -7.771 1.00 0.00 O ATOM 187 CB THR A 278 8.140 -0.803 -9.859 1.00 0.00 C ATOM 188 OG1 THR A 278 8.886 -0.769 -8.647 1.00 0.00 O ATOM 189 CG2 THR A 278 9.143 -0.591 -11.005 1.00 0.00 C ATOM 0 H THR A 278 8.136 1.435 -8.583 1.00 0.00 H new ATOM 0 HA THR A 278 6.803 0.371 -10.955 1.00 0.00 H new ATOM 0 HB THR A 278 7.621 -1.758 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 278 9.447 -1.570 -8.585 1.00 0.00 H new ATOM 0 HG21 THR A 278 9.904 -1.371 -10.971 1.00 0.00 H new ATOM 0 HG22 THR A 278 8.619 -0.636 -11.960 1.00 0.00 H new ATOM 0 HG23 THR A 278 9.618 0.384 -10.897 1.00 0.00 H new ATOM 197 N LYS A 279 4.758 -0.532 -9.510 1.00 0.00 N ATOM 198 CA LYS A 279 3.577 -0.809 -8.696 1.00 0.00 C ATOM 199 C LYS A 279 3.370 -2.270 -8.359 1.00 0.00 C ATOM 200 O LYS A 279 3.763 -3.187 -9.070 1.00 0.00 O ATOM 201 CB LYS A 279 2.309 -0.185 -9.346 1.00 0.00 C ATOM 202 CG LYS A 279 1.995 -0.647 -10.776 1.00 0.00 C ATOM 203 CD LYS A 279 0.920 0.228 -11.433 1.00 0.00 C ATOM 204 CE LYS A 279 0.593 -0.169 -12.881 1.00 0.00 C ATOM 205 NZ LYS A 279 0.035 -1.538 -12.957 1.00 0.00 N ATOM 0 H LYS A 279 4.629 -0.718 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 279 3.760 -0.330 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 279 1.450 -0.413 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 279 2.423 0.899 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 279 2.905 -0.617 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 279 1.659 -1.684 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 279 0.009 0.175 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 279 1.251 1.266 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 279 -0.121 0.540 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 279 1.496 -0.109 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 279 -0.376 -1.694 -13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 279 0.792 -2.231 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 279 -0.704 -1.652 -12.234 1.00 0.00 H new ATOM 219 N LEU A 280 2.756 -2.477 -7.177 1.00 0.00 N ATOM 220 CA LEU A 280 2.530 -3.788 -6.553 1.00 0.00 C ATOM 221 C LEU A 280 1.069 -4.019 -6.338 1.00 0.00 C ATOM 222 O LEU A 280 0.216 -3.180 -6.566 1.00 0.00 O ATOM 223 CB LEU A 280 3.377 -3.979 -5.245 1.00 0.00 C ATOM 224 CG LEU A 280 4.571 -4.952 -5.408 1.00 0.00 C ATOM 225 CD1 LEU A 280 5.418 -4.574 -6.631 1.00 0.00 C ATOM 226 CD2 LEU A 280 5.492 -4.995 -4.175 1.00 0.00 C ATOM 0 H LEU A 280 2.393 -1.707 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 280 2.884 -4.556 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 280 3.753 -3.008 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 280 2.726 -4.348 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 280 4.129 -5.940 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 280 6.251 -5.271 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 280 4.802 -4.620 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 280 5.804 -3.562 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 280 6.308 -5.695 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 280 5.901 -4.001 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 280 4.921 -5.319 -3.305 1.00 0.00 H new ATOM 238 N THR A 281 0.732 -5.217 -5.867 1.00 0.00 N ATOM 239 CA THR A 281 -0.616 -5.542 -5.399 1.00 0.00 C ATOM 240 C THR A 281 -0.478 -5.898 -3.924 1.00 0.00 C ATOM 241 O THR A 281 0.401 -6.669 -3.538 1.00 0.00 O ATOM 242 CB THR A 281 -1.279 -6.714 -6.160 1.00 0.00 C ATOM 243 OG1 THR A 281 -1.407 -6.435 -7.547 1.00 0.00 O ATOM 244 CG2 THR A 281 -2.701 -7.052 -5.665 1.00 0.00 C ATOM 0 H THR A 281 1.388 -5.995 -5.798 1.00 0.00 H new ATOM 0 HA THR A 281 -1.266 -4.684 -5.573 1.00 0.00 H new ATOM 0 HB THR A 281 -0.612 -7.555 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 281 -1.828 -7.197 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 281 -3.100 -7.883 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 281 -2.663 -7.330 -4.612 1.00 0.00 H new ATOM 0 HG23 THR A 281 -3.345 -6.181 -5.787 1.00 0.00 H new ATOM 252 N GLY A 282 -1.371 -5.316 -3.082 1.00 0.00 N ATOM 253 CA GLY A 282 -1.432 -5.605 -1.647 1.00 0.00 C ATOM 254 C GLY A 282 -2.810 -5.458 -1.126 1.00 0.00 C ATOM 255 O GLY A 282 -3.764 -5.099 -1.808 1.00 0.00 O ATOM 0 H GLY A 282 -2.064 -4.634 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.078 -6.619 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.764 -4.932 -1.110 1.00 0.00 H new ATOM 259 N ARG A 283 -2.931 -5.728 0.181 1.00 0.00 N ATOM 260 CA ARG A 283 -4.183 -5.589 0.919 1.00 0.00 C ATOM 261 C ARG A 283 -3.899 -4.674 2.069 1.00 0.00 C ATOM 262 O ARG A 283 -2.806 -4.695 2.616 1.00 0.00 O ATOM 263 CB ARG A 283 -4.742 -6.934 1.473 1.00 0.00 C ATOM 264 CG ARG A 283 -4.944 -8.037 0.418 1.00 0.00 C ATOM 265 CD ARG A 283 -5.632 -9.300 0.970 1.00 0.00 C ATOM 266 NE ARG A 283 -7.006 -8.950 1.495 1.00 0.00 N ATOM 267 CZ ARG A 283 -8.183 -9.220 0.846 1.00 0.00 C ATOM 268 NH1 ARG A 283 -8.196 -9.852 -0.363 1.00 0.00 N ATOM 269 NH2 ARG A 283 -9.364 -8.844 1.419 1.00 0.00 N ATOM 0 H ARG A 283 -2.153 -6.051 0.756 1.00 0.00 H new ATOM 0 HA ARG A 283 -4.942 -5.206 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -4.061 -7.305 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -5.697 -6.740 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -5.540 -7.638 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -3.975 -8.313 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -5.714 -10.052 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -5.029 -9.735 1.767 1.00 0.00 H new ATOM 0 HE ARG A 283 -7.061 -8.479 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -7.319 -10.133 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -9.083 -10.043 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -9.364 -8.367 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -10.246 -9.040 0.945 1.00 0.00 H new ATOM 283 N VAL A 284 -4.858 -3.845 2.503 1.00 0.00 N ATOM 284 CA VAL A 284 -4.631 -2.932 3.649 1.00 0.00 C ATOM 285 C VAL A 284 -5.051 -3.549 4.954 1.00 0.00 C ATOM 286 O VAL A 284 -6.124 -4.139 5.076 1.00 0.00 O ATOM 287 CB VAL A 284 -5.370 -1.600 3.538 1.00 0.00 C ATOM 288 CG1 VAL A 284 -4.793 -0.590 4.563 1.00 0.00 C ATOM 289 CG2 VAL A 284 -5.196 -1.075 2.105 1.00 0.00 C ATOM 0 H VAL A 284 -5.788 -3.782 2.090 1.00 0.00 H new ATOM 0 HA VAL A 284 -3.556 -2.751 3.623 1.00 0.00 H new ATOM 0 HB VAL A 284 -6.430 -1.732 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 284 -5.324 0.358 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 284 -4.914 -0.986 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 284 -3.734 -0.431 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 284 -5.716 -0.123 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 284 -4.136 -0.934 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 284 -5.613 -1.795 1.401 1.00 0.00 H new ATOM 299 N THR A 285 -4.162 -3.416 5.965 1.00 0.00 N ATOM 300 CA THR A 285 -4.353 -4.126 7.228 1.00 0.00 C ATOM 301 C THR A 285 -4.358 -3.302 8.506 1.00 0.00 C ATOM 302 O THR A 285 -5.116 -3.635 9.415 1.00 0.00 O ATOM 303 CB THR A 285 -3.464 -5.374 7.251 1.00 0.00 C ATOM 304 OG1 THR A 285 -4.053 -6.452 7.965 1.00 0.00 O ATOM 305 CG2 THR A 285 -2.040 -5.109 7.757 1.00 0.00 C ATOM 0 H THR A 285 -3.325 -2.834 5.924 1.00 0.00 H new ATOM 0 HA THR A 285 -5.397 -4.441 7.241 1.00 0.00 H new ATOM 0 HB THR A 285 -3.379 -5.666 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 285 -3.449 -7.224 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 285 -1.471 -6.038 7.745 1.00 0.00 H new ATOM 0 HG22 THR A 285 -1.555 -4.378 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 285 -2.082 -4.722 8.775 1.00 0.00 H new ATOM 313 N ASN A 286 -3.500 -2.246 8.677 1.00 0.00 N ATOM 314 CA ASN A 286 -3.536 -1.461 9.924 1.00 0.00 C ATOM 315 C ASN A 286 -3.513 0.003 9.535 1.00 0.00 C ATOM 316 O ASN A 286 -3.346 0.309 8.360 1.00 0.00 O ATOM 317 CB ASN A 286 -2.472 -1.955 10.961 1.00 0.00 C ATOM 318 CG ASN A 286 -2.841 -1.640 12.422 1.00 0.00 C ATOM 319 OD1 ASN A 286 -3.737 -0.848 12.720 1.00 0.00 O ATOM 320 ND2 ASN A 286 -2.118 -2.291 13.369 1.00 0.00 N ATOM 0 H ASN A 286 -2.809 -1.940 7.991 1.00 0.00 H new ATOM 0 HA ASN A 286 -4.456 -1.612 10.488 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -2.344 -3.032 10.852 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -1.511 -1.494 10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -2.310 -2.130 14.358 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -1.382 -2.941 13.092 1.00 0.00 H new ATOM 327 N LEU A 287 -3.645 0.967 10.471 1.00 0.00 N ATOM 328 CA LEU A 287 -3.573 2.403 10.186 1.00 0.00 C ATOM 329 C LEU A 287 -2.443 3.037 10.948 1.00 0.00 C ATOM 330 O LEU A 287 -2.041 2.592 12.021 1.00 0.00 O ATOM 331 CB LEU A 287 -4.928 3.127 10.484 1.00 0.00 C ATOM 332 CG LEU A 287 -5.665 3.596 9.207 1.00 0.00 C ATOM 333 CD1 LEU A 287 -5.886 2.422 8.241 1.00 0.00 C ATOM 334 CD2 LEU A 287 -6.973 4.334 9.545 1.00 0.00 C ATOM 0 H LEU A 287 -3.806 0.760 11.457 1.00 0.00 H new ATOM 0 HA LEU A 287 -3.378 2.517 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 287 -5.577 2.453 11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 287 -4.738 3.989 11.123 1.00 0.00 H new ATOM 0 HG LEU A 287 -5.029 4.319 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 287 -6.406 2.776 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 287 -4.923 2.000 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 287 -6.487 1.656 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 287 -7.462 4.648 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 287 -7.635 3.667 10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 287 -6.750 5.210 10.154 1.00 0.00 H new ATOM 346 N THR A 288 -1.889 4.128 10.357 1.00 0.00 N ATOM 347 CA THR A 288 -0.842 4.947 10.974 1.00 0.00 C ATOM 348 C THR A 288 -1.495 6.287 11.247 1.00 0.00 C ATOM 349 O THR A 288 -2.667 6.492 10.939 1.00 0.00 O ATOM 350 CB THR A 288 0.471 5.045 10.193 1.00 0.00 C ATOM 351 OG1 THR A 288 0.678 3.878 9.415 1.00 0.00 O ATOM 352 CG2 THR A 288 1.679 5.140 11.147 1.00 0.00 C ATOM 0 H THR A 288 -2.167 4.456 9.432 1.00 0.00 H new ATOM 0 HA THR A 288 -0.491 4.472 11.890 1.00 0.00 H new ATOM 0 HB THR A 288 0.394 5.935 9.568 1.00 0.00 H new ATOM 0 HG1 THR A 288 1.017 3.159 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 288 2.598 5.208 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 288 1.579 6.027 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 288 1.715 4.252 11.778 1.00 0.00 H new ATOM 360 N ASP A 289 -0.787 7.279 11.844 1.00 0.00 N ATOM 361 CA ASP A 289 -1.330 8.615 12.144 1.00 0.00 C ATOM 362 C ASP A 289 -1.639 9.499 10.924 1.00 0.00 C ATOM 363 O ASP A 289 -2.578 10.289 10.937 1.00 0.00 O ATOM 364 CB ASP A 289 -0.383 9.396 13.117 1.00 0.00 C ATOM 365 CG ASP A 289 1.108 9.070 12.914 1.00 0.00 C ATOM 366 OD1 ASP A 289 1.656 9.396 11.828 1.00 0.00 O ATOM 367 OD2 ASP A 289 1.714 8.488 13.854 1.00 0.00 O ATOM 0 H ASP A 289 0.185 7.166 12.131 1.00 0.00 H new ATOM 0 HA ASP A 289 -2.292 8.408 12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 289 -0.535 10.466 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 289 -0.661 9.165 14.145 1.00 0.00 H new ATOM 372 N TYR A 290 -0.872 9.310 9.822 1.00 0.00 N ATOM 373 CA TYR A 290 -1.053 9.985 8.544 1.00 0.00 C ATOM 374 C TYR A 290 -0.696 9.072 7.414 1.00 0.00 C ATOM 375 O TYR A 290 -0.147 9.460 6.381 1.00 0.00 O ATOM 376 CB TYR A 290 -0.243 11.312 8.353 1.00 0.00 C ATOM 377 CG TYR A 290 -0.446 12.276 9.481 1.00 0.00 C ATOM 378 CD1 TYR A 290 -1.534 13.127 9.502 1.00 0.00 C ATOM 379 CD2 TYR A 290 0.455 12.308 10.529 1.00 0.00 C ATOM 380 CE1 TYR A 290 -1.727 13.992 10.563 1.00 0.00 C ATOM 381 CE2 TYR A 290 0.267 13.168 11.591 1.00 0.00 C ATOM 382 CZ TYR A 290 -0.826 14.005 11.608 1.00 0.00 C ATOM 383 OH TYR A 290 -1.018 14.862 12.708 1.00 0.00 O ATOM 0 H TYR A 290 -0.088 8.658 9.814 1.00 0.00 H new ATOM 0 HA TYR A 290 -2.109 10.257 8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 290 0.818 11.077 8.267 1.00 0.00 H new ATOM 0 HB3 TYR A 290 -0.542 11.785 7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 290 -2.239 13.116 8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 290 1.314 11.654 10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 290 -2.580 14.655 10.574 1.00 0.00 H new ATOM 0 HE2 TYR A 290 0.975 13.185 12.406 1.00 0.00 H new ATOM 0 HH TYR A 290 -0.288 14.738 13.350 1.00 0.00 H new ATOM 393 N GLY A 291 -1.088 7.802 7.592 1.00 0.00 N ATOM 394 CA GLY A 291 -0.940 6.818 6.541 1.00 0.00 C ATOM 395 C GLY A 291 -1.608 5.589 7.003 1.00 0.00 C ATOM 396 O GLY A 291 -2.300 5.563 8.017 1.00 0.00 O ATOM 0 H GLY A 291 -1.506 7.446 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 291 -1.388 7.175 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 291 0.114 6.630 6.335 1.00 0.00 H new ATOM 400 N CYS A 292 -1.425 4.501 6.256 1.00 0.00 N ATOM 401 CA CYS A 292 -2.002 3.194 6.552 1.00 0.00 C ATOM 402 C CYS A 292 -0.934 2.154 6.347 1.00 0.00 C ATOM 403 O CYS A 292 0.007 2.378 5.586 1.00 0.00 O ATOM 404 CB CYS A 292 -3.282 2.821 5.728 1.00 0.00 C ATOM 405 SG CYS A 292 -4.483 4.184 5.531 1.00 0.00 S ATOM 0 H CYS A 292 -0.858 4.506 5.408 1.00 0.00 H new ATOM 0 HA CYS A 292 -2.347 3.234 7.585 1.00 0.00 H new ATOM 0 HB2 CYS A 292 -2.975 2.479 4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 292 -3.780 1.983 6.215 1.00 0.00 H new ATOM 0 HG CYS A 292 -4.966 4.166 4.324 1.00 0.00 H new ATOM 411 N PHE A 293 -1.057 0.958 6.987 1.00 0.00 N ATOM 412 CA PHE A 293 -0.108 -0.131 6.763 1.00 0.00 C ATOM 413 C PHE A 293 -0.728 -1.099 5.776 1.00 0.00 C ATOM 414 O PHE A 293 -1.851 -1.588 5.965 1.00 0.00 O ATOM 415 CB PHE A 293 0.283 -0.886 8.064 1.00 0.00 C ATOM 416 CG PHE A 293 1.113 0.000 8.951 1.00 0.00 C ATOM 417 CD1 PHE A 293 2.404 0.316 8.574 1.00 0.00 C ATOM 418 CD2 PHE A 293 0.636 0.488 10.157 1.00 0.00 C ATOM 419 CE1 PHE A 293 3.202 1.106 9.375 1.00 0.00 C ATOM 420 CE2 PHE A 293 1.438 1.257 10.975 1.00 0.00 C ATOM 421 CZ PHE A 293 2.724 1.571 10.581 1.00 0.00 C ATOM 0 H PHE A 293 -1.800 0.741 7.651 1.00 0.00 H new ATOM 0 HA PHE A 293 0.814 0.303 6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -0.616 -1.203 8.593 1.00 0.00 H new ATOM 0 HB3 PHE A 293 0.841 -1.789 7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 293 2.794 -0.061 7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -0.376 0.264 10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 293 4.202 1.360 9.057 1.00 0.00 H new ATOM 0 HE2 PHE A 293 1.061 1.613 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 293 3.352 2.178 11.215 1.00 0.00 H new ATOM 431 N VAL A 294 0.028 -1.373 4.679 1.00 0.00 N ATOM 432 CA VAL A 294 -0.382 -2.194 3.554 1.00 0.00 C ATOM 433 C VAL A 294 0.315 -3.512 3.686 1.00 0.00 C ATOM 434 O VAL A 294 1.515 -3.521 3.901 1.00 0.00 O ATOM 435 CB VAL A 294 0.112 -1.576 2.232 1.00 0.00 C ATOM 436 CG1 VAL A 294 -0.524 -2.294 1.027 1.00 0.00 C ATOM 437 CG2 VAL A 294 -0.207 -0.076 2.187 1.00 0.00 C ATOM 0 H VAL A 294 0.973 -1.004 4.570 1.00 0.00 H new ATOM 0 HA VAL A 294 -1.468 -2.281 3.549 1.00 0.00 H new ATOM 0 HB VAL A 294 1.193 -1.703 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 294 -0.163 -1.843 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 294 -0.251 -3.349 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 294 -1.609 -2.198 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 294 0.149 0.344 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -1.284 0.069 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 294 0.287 0.426 3.019 1.00 0.00 H new ATOM 447 N GLU A 295 -0.335 -4.673 3.532 1.00 0.00 N ATOM 448 CA GLU A 295 0.458 -5.929 3.522 1.00 0.00 C ATOM 449 C GLU A 295 0.728 -6.500 2.122 1.00 0.00 C ATOM 450 O GLU A 295 -0.209 -6.741 1.355 1.00 0.00 O ATOM 451 CB GLU A 295 -0.130 -7.037 4.435 1.00 0.00 C ATOM 452 CG GLU A 295 0.915 -8.099 4.845 1.00 0.00 C ATOM 453 CD GLU A 295 0.234 -9.261 5.563 1.00 0.00 C ATOM 454 OE1 GLU A 295 -0.572 -9.971 4.905 1.00 0.00 O ATOM 455 OE2 GLU A 295 0.515 -9.460 6.775 1.00 0.00 O ATOM 0 H GLU A 295 -1.343 -4.780 3.419 1.00 0.00 H new ATOM 0 HA GLU A 295 1.417 -5.616 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 295 -0.545 -6.578 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 295 -0.954 -7.527 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 295 1.438 -8.465 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 295 1.665 -7.649 5.496 1.00 0.00 H new ATOM 462 N ILE A 296 2.027 -6.770 1.767 1.00 0.00 N ATOM 463 CA ILE A 296 2.385 -7.456 0.486 1.00 0.00 C ATOM 464 C ILE A 296 2.787 -8.921 0.721 1.00 0.00 C ATOM 465 O ILE A 296 3.877 -9.357 0.347 1.00 0.00 O ATOM 466 CB ILE A 296 3.494 -6.790 -0.348 1.00 0.00 C ATOM 467 CG1 ILE A 296 3.395 -5.255 -0.353 1.00 0.00 C ATOM 468 CG2 ILE A 296 3.511 -7.349 -1.799 1.00 0.00 C ATOM 469 CD1 ILE A 296 2.089 -4.685 -0.915 1.00 0.00 C ATOM 0 H ILE A 296 2.831 -6.525 2.345 1.00 0.00 H new ATOM 0 HA ILE A 296 1.464 -7.379 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 296 4.439 -7.041 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 296 3.519 -4.896 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 296 4.226 -4.856 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 296 4.304 -6.862 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 296 3.691 -8.424 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 296 2.550 -7.154 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 296 2.120 -3.596 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 296 1.967 -5.006 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 296 1.249 -5.047 -0.322 1.00 0.00 H new ATOM 481 N GLU A 297 1.894 -9.734 1.356 1.00 0.00 N ATOM 482 CA GLU A 297 2.082 -11.147 1.742 1.00 0.00 C ATOM 483 C GLU A 297 2.978 -11.286 2.950 1.00 0.00 C ATOM 484 O GLU A 297 3.582 -10.334 3.431 1.00 0.00 O ATOM 485 CB GLU A 297 2.474 -12.102 0.573 1.00 0.00 C ATOM 486 CG GLU A 297 1.443 -12.061 -0.572 1.00 0.00 C ATOM 487 CD GLU A 297 1.797 -13.106 -1.628 1.00 0.00 C ATOM 488 OE1 GLU A 297 2.892 -12.982 -2.239 1.00 0.00 O ATOM 489 OE2 GLU A 297 0.976 -14.039 -1.840 1.00 0.00 O ATOM 0 H GLU A 297 0.972 -9.391 1.624 1.00 0.00 H new ATOM 0 HA GLU A 297 1.091 -11.496 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 297 3.455 -11.822 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 297 2.558 -13.121 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 297 0.444 -12.251 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 297 1.425 -11.068 -1.022 1.00 0.00 H new ATOM 496 N GLU A 298 3.109 -12.495 3.528 1.00 0.00 N ATOM 497 CA GLU A 298 3.958 -12.644 4.711 1.00 0.00 C ATOM 498 C GLU A 298 5.493 -12.477 4.466 1.00 0.00 C ATOM 499 O GLU A 298 6.113 -13.249 3.740 1.00 0.00 O ATOM 500 CB GLU A 298 3.708 -14.036 5.343 1.00 0.00 C ATOM 501 CG GLU A 298 2.232 -14.274 5.713 1.00 0.00 C ATOM 502 CD GLU A 298 2.084 -15.632 6.399 1.00 0.00 C ATOM 503 OE1 GLU A 298 2.367 -16.665 5.736 1.00 0.00 O ATOM 504 OE2 GLU A 298 1.684 -15.654 7.594 1.00 0.00 O ATOM 0 H GLU A 298 2.654 -13.349 3.206 1.00 0.00 H new ATOM 0 HA GLU A 298 3.673 -11.825 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 298 4.031 -14.809 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 298 4.322 -14.138 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 298 1.881 -13.482 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 298 1.612 -14.239 4.817 1.00 0.00 H new ATOM 511 N GLY A 299 6.115 -11.462 5.137 1.00 0.00 N ATOM 512 CA GLY A 299 7.538 -11.131 5.116 1.00 0.00 C ATOM 513 C GLY A 299 7.862 -9.768 4.592 1.00 0.00 C ATOM 514 O GLY A 299 8.822 -9.113 4.988 1.00 0.00 O ATOM 0 H GLY A 299 5.588 -10.827 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 299 7.931 -11.217 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 299 8.059 -11.871 4.508 1.00 0.00 H new ATOM 518 N VAL A 300 7.039 -9.337 3.648 1.00 0.00 N ATOM 519 CA VAL A 300 7.106 -8.077 2.919 1.00 0.00 C ATOM 520 C VAL A 300 5.855 -7.285 3.249 1.00 0.00 C ATOM 521 O VAL A 300 4.734 -7.773 3.165 1.00 0.00 O ATOM 522 CB VAL A 300 7.315 -8.365 1.429 1.00 0.00 C ATOM 523 CG1 VAL A 300 7.088 -7.179 0.483 1.00 0.00 C ATOM 524 CG2 VAL A 300 8.792 -8.764 1.228 1.00 0.00 C ATOM 0 H VAL A 300 6.245 -9.902 3.348 1.00 0.00 H new ATOM 0 HA VAL A 300 7.956 -7.462 3.214 1.00 0.00 H new ATOM 0 HB VAL A 300 6.581 -9.132 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 300 7.263 -7.495 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.062 -6.824 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 300 7.777 -6.374 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 300 8.972 -8.976 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 300 9.437 -7.946 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 300 9.012 -9.653 1.819 1.00 0.00 H new ATOM 534 N GLU A 301 5.964 -5.999 3.627 1.00 0.00 N ATOM 535 CA GLU A 301 4.779 -5.251 3.977 1.00 0.00 C ATOM 536 C GLU A 301 5.174 -3.832 3.852 1.00 0.00 C ATOM 537 O GLU A 301 6.358 -3.496 3.878 1.00 0.00 O ATOM 538 CB GLU A 301 4.123 -5.608 5.354 1.00 0.00 C ATOM 539 CG GLU A 301 5.066 -5.764 6.570 1.00 0.00 C ATOM 540 CD GLU A 301 5.600 -4.420 7.068 1.00 0.00 C ATOM 541 OE1 GLU A 301 4.766 -3.557 7.456 1.00 0.00 O ATOM 542 OE2 GLU A 301 6.847 -4.238 7.068 1.00 0.00 O ATOM 0 H GLU A 301 6.841 -5.482 3.692 1.00 0.00 H new ATOM 0 HA GLU A 301 3.963 -5.512 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.393 -4.834 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.571 -6.540 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 301 4.532 -6.262 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.903 -6.406 6.297 1.00 0.00 H new ATOM 549 N GLY A 302 4.142 -2.991 3.655 1.00 0.00 N ATOM 550 CA GLY A 302 4.290 -1.551 3.383 1.00 0.00 C ATOM 551 C GLY A 302 3.559 -0.594 4.259 1.00 0.00 C ATOM 552 O GLY A 302 2.742 -0.926 5.105 1.00 0.00 O ATOM 0 H GLY A 302 3.169 -3.298 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.351 -1.309 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 302 3.974 -1.371 2.356 1.00 0.00 H new ATOM 556 N LEU A 303 3.865 0.690 4.002 1.00 0.00 N ATOM 557 CA LEU A 303 3.202 1.863 4.576 1.00 0.00 C ATOM 558 C LEU A 303 2.713 2.687 3.432 1.00 0.00 C ATOM 559 O LEU A 303 3.517 3.179 2.637 1.00 0.00 O ATOM 560 CB LEU A 303 4.164 2.814 5.377 1.00 0.00 C ATOM 561 CG LEU A 303 3.762 4.321 5.596 1.00 0.00 C ATOM 562 CD1 LEU A 303 2.605 4.480 6.595 1.00 0.00 C ATOM 563 CD2 LEU A 303 4.987 5.093 6.115 1.00 0.00 C ATOM 0 H LEU A 303 4.615 0.944 3.359 1.00 0.00 H new ATOM 0 HA LEU A 303 2.433 1.491 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 303 4.316 2.371 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 303 5.129 2.804 4.870 1.00 0.00 H new ATOM 0 HG LEU A 303 3.425 4.718 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 303 2.367 5.537 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 303 1.728 3.949 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 303 2.898 4.067 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 303 4.719 6.138 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 303 5.317 4.659 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 303 5.793 5.029 5.384 1.00 0.00 H new ATOM 575 N VAL A 304 1.379 2.954 3.384 1.00 0.00 N ATOM 576 CA VAL A 304 0.799 3.891 2.408 1.00 0.00 C ATOM 577 C VAL A 304 0.744 5.191 3.099 1.00 0.00 C ATOM 578 O VAL A 304 0.119 5.320 4.151 1.00 0.00 O ATOM 579 CB VAL A 304 -0.554 3.599 1.745 1.00 0.00 C ATOM 580 CG1 VAL A 304 -1.639 3.176 2.741 1.00 0.00 C ATOM 581 CG2 VAL A 304 -1.021 4.794 0.851 1.00 0.00 C ATOM 0 H VAL A 304 0.696 2.530 4.011 1.00 0.00 H new ATOM 0 HA VAL A 304 1.452 3.822 1.538 1.00 0.00 H new ATOM 0 HB VAL A 304 -0.395 2.737 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -2.569 2.985 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -1.325 2.269 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -1.796 3.973 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -1.982 4.554 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -1.123 5.689 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -0.284 4.972 0.068 1.00 0.00 H new ATOM 591 N HIS A 305 1.460 6.181 2.544 1.00 0.00 N ATOM 592 CA HIS A 305 1.484 7.485 3.252 1.00 0.00 C ATOM 593 C HIS A 305 0.454 8.474 2.693 1.00 0.00 C ATOM 594 O HIS A 305 0.392 8.636 1.480 1.00 0.00 O ATOM 595 CB HIS A 305 2.913 8.075 3.336 1.00 0.00 C ATOM 596 CG HIS A 305 3.070 9.083 4.447 1.00 0.00 C ATOM 597 ND1 HIS A 305 2.951 10.443 4.285 1.00 0.00 N ATOM 598 CD2 HIS A 305 3.280 8.889 5.780 1.00 0.00 C ATOM 599 CE1 HIS A 305 3.099 11.004 5.511 1.00 0.00 C ATOM 600 NE2 HIS A 305 3.297 10.101 6.450 1.00 0.00 N ATOM 0 H HIS A 305 1.994 6.125 1.676 1.00 0.00 H new ATOM 0 HA HIS A 305 1.177 7.293 4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 305 3.627 7.265 3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 305 3.161 8.548 2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 305 3.414 7.925 6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 305 3.059 12.067 5.696 1.00 0.00 H new ATOM 0 HE2 HIS A 305 3.433 10.259 7.448 1.00 0.00 H new ATOM 608 N VAL A 306 -0.374 9.198 3.522 1.00 0.00 N ATOM 609 CA VAL A 306 -1.405 10.176 3.050 1.00 0.00 C ATOM 610 C VAL A 306 -0.929 11.263 2.053 1.00 0.00 C ATOM 611 O VAL A 306 -1.604 11.557 1.071 1.00 0.00 O ATOM 612 CB VAL A 306 -2.260 10.754 4.197 1.00 0.00 C ATOM 613 CG1 VAL A 306 -3.151 11.959 3.800 1.00 0.00 C ATOM 614 CG2 VAL A 306 -3.182 9.628 4.710 1.00 0.00 C ATOM 0 H VAL A 306 -0.340 9.114 4.538 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.056 9.552 2.437 1.00 0.00 H new ATOM 0 HB VAL A 306 -1.563 11.123 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.715 12.297 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -2.523 12.772 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.843 11.656 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.801 10.007 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -3.822 9.283 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -2.576 8.798 5.072 1.00 0.00 H new ATOM 866 N VAL A 322 -9.340 4.429 2.367 1.00 0.00 N ATOM 867 CA VAL A 322 -9.383 2.968 2.487 1.00 0.00 C ATOM 868 C VAL A 322 -10.192 2.355 3.619 1.00 0.00 C ATOM 869 O VAL A 322 -10.523 2.943 4.644 1.00 0.00 O ATOM 870 CB VAL A 322 -8.003 2.314 2.229 1.00 0.00 C ATOM 871 CG1 VAL A 322 -7.110 2.174 3.494 1.00 0.00 C ATOM 872 CG2 VAL A 322 -8.168 0.990 1.435 1.00 0.00 C ATOM 0 HA VAL A 322 -10.031 2.683 1.659 1.00 0.00 H new ATOM 0 HB VAL A 322 -7.440 3.007 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -6.164 1.707 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -6.919 3.161 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -7.620 1.556 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -7.188 0.544 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -8.786 0.298 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -8.646 1.197 0.477 1.00 0.00 H new ATOM 882 N ASN A 323 -10.535 1.076 3.434 1.00 0.00 N ATOM 883 CA ASN A 323 -11.172 0.265 4.449 1.00 0.00 C ATOM 884 C ASN A 323 -10.129 -0.736 4.879 1.00 0.00 C ATOM 885 O ASN A 323 -9.249 -1.161 4.126 1.00 0.00 O ATOM 886 CB ASN A 323 -12.499 -0.378 3.955 1.00 0.00 C ATOM 887 CG ASN A 323 -13.367 -0.841 5.132 1.00 0.00 C ATOM 888 OD1 ASN A 323 -13.137 -0.512 6.299 1.00 0.00 O ATOM 889 ND2 ASN A 323 -14.412 -1.645 4.817 1.00 0.00 N ATOM 0 H ASN A 323 -10.371 0.578 2.559 1.00 0.00 H new ATOM 0 HA ASN A 323 -11.495 0.864 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -13.053 0.343 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -12.276 -1.227 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -15.028 -1.992 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -14.582 -1.903 3.845 1.00 0.00 H new ATOM 896 N VAL A 324 -10.222 -1.124 6.163 1.00 0.00 N ATOM 897 CA VAL A 324 -9.343 -2.094 6.801 1.00 0.00 C ATOM 898 C VAL A 324 -9.786 -3.504 6.390 1.00 0.00 C ATOM 899 O VAL A 324 -10.931 -3.913 6.575 1.00 0.00 O ATOM 900 CB VAL A 324 -9.305 -1.827 8.312 1.00 0.00 C ATOM 901 CG1 VAL A 324 -10.713 -1.803 8.950 1.00 0.00 C ATOM 902 CG2 VAL A 324 -8.337 -2.782 9.044 1.00 0.00 C ATOM 0 H VAL A 324 -10.933 -0.756 6.795 1.00 0.00 H new ATOM 0 HA VAL A 324 -8.309 -2.000 6.469 1.00 0.00 H new ATOM 0 HB VAL A 324 -8.905 -0.821 8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 324 -10.625 -1.610 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 324 -11.309 -1.016 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 324 -11.200 -2.766 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 324 -8.342 -2.558 10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 324 -8.656 -3.813 8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 324 -7.329 -2.651 8.650 1.00 0.00 H new ATOM 912 N GLY A 325 -8.860 -4.259 5.739 1.00 0.00 N ATOM 913 CA GLY A 325 -9.146 -5.548 5.098 1.00 0.00 C ATOM 914 C GLY A 325 -9.603 -5.418 3.661 1.00 0.00 C ATOM 915 O GLY A 325 -10.289 -6.282 3.129 1.00 0.00 O ATOM 0 H GLY A 325 -7.884 -3.975 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -8.250 -6.168 5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.915 -6.067 5.670 1.00 0.00 H new ATOM 919 N ASP A 326 -9.213 -4.320 2.974 1.00 0.00 N ATOM 920 CA ASP A 326 -9.485 -4.027 1.561 1.00 0.00 C ATOM 921 C ASP A 326 -8.311 -4.511 0.723 1.00 0.00 C ATOM 922 O ASP A 326 -7.190 -4.630 1.207 1.00 0.00 O ATOM 923 CB ASP A 326 -9.636 -2.482 1.376 1.00 0.00 C ATOM 924 CG ASP A 326 -10.194 -2.012 0.026 1.00 0.00 C ATOM 925 OD1 ASP A 326 -11.416 -2.195 -0.209 1.00 0.00 O ATOM 926 OD2 ASP A 326 -9.402 -1.440 -0.769 1.00 0.00 O ATOM 0 H ASP A 326 -8.672 -3.580 3.420 1.00 0.00 H new ATOM 0 HA ASP A 326 -10.401 -4.528 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 326 -10.286 -2.104 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 326 -8.658 -2.023 1.521 1.00 0.00 H new ATOM 931 N VAL A 327 -8.525 -4.759 -0.590 1.00 0.00 N ATOM 932 CA VAL A 327 -7.481 -5.125 -1.541 1.00 0.00 C ATOM 933 C VAL A 327 -7.441 -3.997 -2.572 1.00 0.00 C ATOM 934 O VAL A 327 -8.473 -3.452 -2.974 1.00 0.00 O ATOM 935 CB VAL A 327 -7.665 -6.545 -2.111 1.00 0.00 C ATOM 936 CG1 VAL A 327 -9.144 -6.871 -2.357 1.00 0.00 C ATOM 937 CG2 VAL A 327 -6.819 -6.832 -3.370 1.00 0.00 C ATOM 0 H VAL A 327 -9.451 -4.706 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 327 -6.503 -5.206 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 327 -7.286 -7.213 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -9.232 -7.880 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -9.692 -6.805 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -9.560 -6.159 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -7.005 -7.851 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -7.092 -6.132 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -5.762 -6.716 -3.132 1.00 0.00 H new ATOM 947 N VAL A 328 -6.193 -3.590 -2.918 1.00 0.00 N ATOM 948 CA VAL A 328 -5.743 -2.405 -3.647 1.00 0.00 C ATOM 949 C VAL A 328 -4.499 -2.778 -4.440 1.00 0.00 C ATOM 950 O VAL A 328 -3.930 -3.870 -4.366 1.00 0.00 O ATOM 951 CB VAL A 328 -5.582 -1.362 -2.540 1.00 0.00 C ATOM 952 CG1 VAL A 328 -4.436 -1.698 -1.575 1.00 0.00 C ATOM 953 CG2 VAL A 328 -5.534 0.066 -3.084 1.00 0.00 C ATOM 0 H VAL A 328 -5.392 -4.163 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.410 -2.000 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.486 -1.407 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -4.366 -0.925 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.629 -2.661 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.498 -1.747 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -5.419 0.767 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.690 0.167 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.459 0.283 -3.618 1.00 0.00 H new ATOM 963 N GLU A 329 -4.027 -1.806 -5.233 1.00 0.00 N ATOM 964 CA GLU A 329 -2.806 -1.843 -6.019 1.00 0.00 C ATOM 965 C GLU A 329 -1.988 -0.785 -5.371 1.00 0.00 C ATOM 966 O GLU A 329 -2.542 0.204 -4.902 1.00 0.00 O ATOM 967 CB GLU A 329 -3.140 -1.519 -7.495 1.00 0.00 C ATOM 968 CG GLU A 329 -1.955 -1.571 -8.475 1.00 0.00 C ATOM 969 CD GLU A 329 -2.458 -1.281 -9.889 1.00 0.00 C ATOM 970 OE1 GLU A 329 -2.966 -0.150 -10.117 1.00 0.00 O ATOM 971 OE2 GLU A 329 -2.339 -2.185 -10.758 1.00 0.00 O ATOM 0 H GLU A 329 -4.525 -0.923 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 329 -2.292 -2.804 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -3.902 -2.219 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -3.580 -0.523 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.199 -0.840 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.481 -2.552 -8.439 1.00 0.00 H new ATOM 978 N VAL A 330 -0.673 -0.990 -5.233 1.00 0.00 N ATOM 979 CA VAL A 330 0.133 -0.072 -4.443 1.00 0.00 C ATOM 980 C VAL A 330 1.209 0.392 -5.335 1.00 0.00 C ATOM 981 O VAL A 330 1.473 -0.203 -6.368 1.00 0.00 O ATOM 982 CB VAL A 330 0.665 -0.756 -3.170 1.00 0.00 C ATOM 983 CG1 VAL A 330 -0.380 -1.717 -2.574 1.00 0.00 C ATOM 984 CG2 VAL A 330 1.838 -1.669 -3.504 1.00 0.00 C ATOM 0 H VAL A 330 -0.160 -1.767 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 330 -0.450 0.776 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 330 0.929 0.052 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 330 0.025 -2.184 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 330 -1.282 -1.161 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 330 -0.625 -2.487 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 330 2.201 -2.144 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 330 1.514 -2.436 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 330 2.640 -1.082 -3.951 1.00 0.00 H new ATOM 994 N MET A 331 1.942 1.442 -4.976 1.00 0.00 N ATOM 995 CA MET A 331 3.132 1.735 -5.768 1.00 0.00 C ATOM 996 C MET A 331 4.269 1.677 -4.805 1.00 0.00 C ATOM 997 O MET A 331 4.141 2.059 -3.647 1.00 0.00 O ATOM 998 CB MET A 331 3.035 3.084 -6.535 1.00 0.00 C ATOM 999 CG MET A 331 4.203 3.348 -7.502 1.00 0.00 C ATOM 1000 SD MET A 331 3.970 4.798 -8.573 1.00 0.00 S ATOM 1001 CE MET A 331 3.243 3.911 -9.982 1.00 0.00 C ATOM 0 H MET A 331 1.752 2.069 -4.194 1.00 0.00 H new ATOM 0 HA MET A 331 3.265 1.010 -6.571 1.00 0.00 H new ATOM 0 HB2 MET A 331 2.102 3.102 -7.098 1.00 0.00 H new ATOM 0 HB3 MET A 331 2.987 3.898 -5.811 1.00 0.00 H new ATOM 0 HG2 MET A 331 5.117 3.481 -6.923 1.00 0.00 H new ATOM 0 HG3 MET A 331 4.348 2.467 -8.128 1.00 0.00 H new ATOM 0 HE1 MET A 331 3.014 4.619 -10.779 1.00 0.00 H new ATOM 0 HE2 MET A 331 3.951 3.168 -10.349 1.00 0.00 H new ATOM 0 HE3 MET A 331 2.327 3.413 -9.665 1.00 0.00 H new ATOM 1011 N VAL A 332 5.430 1.125 -5.223 1.00 0.00 N ATOM 1012 CA VAL A 332 6.542 0.900 -4.267 1.00 0.00 C ATOM 1013 C VAL A 332 7.371 2.128 -4.011 1.00 0.00 C ATOM 1014 O VAL A 332 7.792 2.783 -4.959 1.00 0.00 O ATOM 1015 CB VAL A 332 7.534 -0.185 -4.796 1.00 0.00 C ATOM 1016 CG1 VAL A 332 8.651 -0.551 -3.782 1.00 0.00 C ATOM 1017 CG2 VAL A 332 6.823 -1.468 -5.280 1.00 0.00 C ATOM 0 H VAL A 332 5.621 0.835 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 332 6.047 0.590 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 332 8.010 0.286 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 332 9.302 -1.310 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 332 9.236 0.339 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 332 8.200 -0.939 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 332 7.565 -2.183 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 332 6.262 -1.907 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 332 6.139 -1.221 -6.092 1.00 0.00 H new ATOM 1027 N LEU A 333 7.655 2.466 -2.721 1.00 0.00 N ATOM 1028 CA LEU A 333 8.517 3.535 -2.373 1.00 0.00 C ATOM 1029 C LEU A 333 9.520 2.772 -1.519 1.00 0.00 C ATOM 1030 O LEU A 333 9.984 1.673 -1.788 1.00 0.00 O ATOM 1031 CB LEU A 333 7.892 4.808 -1.666 1.00 0.00 C ATOM 1032 CG LEU A 333 6.690 5.553 -2.325 1.00 0.00 C ATOM 1033 CD1 LEU A 333 6.908 5.982 -3.786 1.00 0.00 C ATOM 1034 CD2 LEU A 333 5.345 4.824 -2.138 1.00 0.00 C ATOM 0 H LEU A 333 7.267 1.973 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 333 8.912 4.054 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 333 7.577 4.503 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 333 8.694 5.535 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 333 6.635 6.485 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 333 6.017 6.491 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 333 7.761 6.658 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 333 7.101 5.101 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 333 4.552 5.395 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 333 5.403 3.833 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 333 5.128 4.728 -1.074 1.00 0.00 H new ATOM 1046 N ASP A 334 9.884 3.350 -0.402 1.00 0.00 N ATOM 1047 CA ASP A 334 11.159 3.132 0.285 1.00 0.00 C ATOM 1048 C ASP A 334 11.552 1.799 0.859 1.00 0.00 C ATOM 1049 O ASP A 334 11.008 1.363 1.863 1.00 0.00 O ATOM 1050 CB ASP A 334 11.421 4.286 1.314 1.00 0.00 C ATOM 1051 CG ASP A 334 12.902 4.493 1.677 1.00 0.00 C ATOM 1052 OD1 ASP A 334 13.699 4.797 0.751 1.00 0.00 O ATOM 1053 OD2 ASP A 334 13.244 4.343 2.880 1.00 0.00 O ATOM 0 H ASP A 334 9.284 4.016 0.084 1.00 0.00 H new ATOM 0 HA ASP A 334 11.828 3.135 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 334 11.027 5.216 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 334 10.862 4.076 2.226 1.00 0.00 H new ATOM 1058 N ILE A 335 12.591 1.167 0.242 1.00 0.00 N ATOM 1059 CA ILE A 335 13.169 -0.092 0.675 1.00 0.00 C ATOM 1060 C ILE A 335 14.453 0.191 1.427 1.00 0.00 C ATOM 1061 O ILE A 335 15.451 0.661 0.884 1.00 0.00 O ATOM 1062 CB ILE A 335 13.253 -1.171 -0.401 1.00 0.00 C ATOM 1063 CG1 ILE A 335 13.887 -2.520 0.044 1.00 0.00 C ATOM 1064 CG2 ILE A 335 13.958 -0.651 -1.665 1.00 0.00 C ATOM 1065 CD1 ILE A 335 13.400 -3.142 1.357 1.00 0.00 C ATOM 0 H ILE A 335 13.045 1.547 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 335 12.477 -0.568 1.370 1.00 0.00 H new ATOM 0 HB ILE A 335 12.210 -1.400 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 335 13.721 -3.246 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 335 14.964 -2.374 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 335 14.001 -1.445 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 335 13.403 0.196 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 335 14.970 -0.335 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 335 13.931 -4.077 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 335 13.592 -2.453 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 335 12.330 -3.339 1.291 1.00 0.00 H new ATOM 1077 N ASP A 336 14.414 -0.094 2.746 1.00 0.00 N ATOM 1078 CA ASP A 336 15.490 0.185 3.679 1.00 0.00 C ATOM 1079 C ASP A 336 15.850 -1.098 4.377 1.00 0.00 C ATOM 1080 O ASP A 336 15.036 -1.678 5.091 1.00 0.00 O ATOM 1081 CB ASP A 336 15.012 1.310 4.659 1.00 0.00 C ATOM 1082 CG ASP A 336 16.018 2.460 4.800 1.00 0.00 C ATOM 1083 OD1 ASP A 336 17.145 2.372 4.244 1.00 0.00 O ATOM 1084 OD2 ASP A 336 15.650 3.465 5.463 1.00 0.00 O ATOM 0 H ASP A 336 13.607 -0.535 3.187 1.00 0.00 H new ATOM 0 HA ASP A 336 16.389 0.549 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 336 14.061 1.710 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 336 14.830 0.873 5.641 1.00 0.00 H new ATOM 1089 N GLU A 337 17.113 -1.578 4.185 1.00 0.00 N ATOM 1090 CA GLU A 337 17.644 -2.857 4.681 1.00 0.00 C ATOM 1091 C GLU A 337 18.091 -2.850 6.129 1.00 0.00 C ATOM 1092 O GLU A 337 18.471 -3.861 6.712 1.00 0.00 O ATOM 1093 CB GLU A 337 18.766 -3.409 3.773 1.00 0.00 C ATOM 1094 CG GLU A 337 19.903 -2.428 3.446 1.00 0.00 C ATOM 1095 CD GLU A 337 21.082 -3.209 2.867 1.00 0.00 C ATOM 1096 OE1 GLU A 337 21.719 -3.976 3.638 1.00 0.00 O ATOM 1097 OE2 GLU A 337 21.361 -3.051 1.650 1.00 0.00 O ATOM 0 H GLU A 337 17.809 -1.052 3.656 1.00 0.00 H new ATOM 0 HA GLU A 337 16.786 -3.529 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 337 19.196 -4.288 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 337 18.319 -3.743 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 337 19.560 -1.679 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 337 20.210 -1.894 4.345 1.00 0.00 H new ATOM 1104 N GLU A 338 17.988 -1.653 6.726 1.00 0.00 N ATOM 1105 CA GLU A 338 18.214 -1.313 8.118 1.00 0.00 C ATOM 1106 C GLU A 338 16.931 -1.453 8.945 1.00 0.00 C ATOM 1107 O GLU A 338 16.968 -1.853 10.103 1.00 0.00 O ATOM 1108 CB GLU A 338 18.718 0.152 8.205 1.00 0.00 C ATOM 1109 CG GLU A 338 17.998 1.083 7.215 1.00 0.00 C ATOM 1110 CD GLU A 338 18.275 2.541 7.577 1.00 0.00 C ATOM 1111 OE1 GLU A 338 17.932 2.948 8.718 1.00 0.00 O ATOM 1112 OE2 GLU A 338 18.841 3.268 6.717 1.00 0.00 O ATOM 0 H GLU A 338 17.719 -0.830 6.187 1.00 0.00 H new ATOM 0 HA GLU A 338 18.957 -2.001 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 338 18.572 0.523 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 338 19.790 0.176 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 338 18.338 0.881 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 338 16.925 0.891 7.237 1.00 0.00 H new ATOM 1119 N ARG A 339 15.763 -1.081 8.352 1.00 0.00 N ATOM 1120 CA ARG A 339 14.457 -1.052 9.006 1.00 0.00 C ATOM 1121 C ARG A 339 13.596 -2.219 8.619 1.00 0.00 C ATOM 1122 O ARG A 339 12.782 -2.711 9.398 1.00 0.00 O ATOM 1123 CB ARG A 339 13.775 0.314 8.752 1.00 0.00 C ATOM 1124 CG ARG A 339 14.446 1.443 9.555 1.00 0.00 C ATOM 1125 CD ARG A 339 14.698 2.712 8.737 1.00 0.00 C ATOM 1126 NE ARG A 339 13.387 3.259 8.235 1.00 0.00 N ATOM 1127 CZ ARG A 339 13.247 4.534 7.752 1.00 0.00 C ATOM 1128 NH1 ARG A 339 14.314 5.383 7.696 1.00 0.00 N ATOM 1129 NH2 ARG A 339 12.024 4.962 7.325 1.00 0.00 N ATOM 0 H ARG A 339 15.721 -0.787 7.376 1.00 0.00 H new ATOM 0 HA ARG A 339 14.606 -1.157 10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 339 13.817 0.549 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 339 12.721 0.251 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 339 13.818 1.691 10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 339 15.395 1.081 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 339 15.204 3.458 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 339 15.357 2.491 7.897 1.00 0.00 H new ATOM 0 HE ARG A 339 12.567 2.653 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 339 15.231 5.071 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 339 14.194 6.329 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 339 11.221 4.334 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 339 11.913 5.910 6.964 1.00 0.00 H new ATOM 1143 N ARG A 340 13.816 -2.679 7.372 1.00 0.00 N ATOM 1144 CA ARG A 340 13.241 -3.831 6.683 1.00 0.00 C ATOM 1145 C ARG A 340 11.797 -3.597 6.300 1.00 0.00 C ATOM 1146 O ARG A 340 10.862 -4.332 6.599 1.00 0.00 O ATOM 1147 CB ARG A 340 13.582 -5.166 7.395 1.00 0.00 C ATOM 1148 CG ARG A 340 15.112 -5.370 7.509 1.00 0.00 C ATOM 1149 CD ARG A 340 15.791 -5.865 6.219 1.00 0.00 C ATOM 1150 NE ARG A 340 15.262 -7.223 5.846 1.00 0.00 N ATOM 1151 CZ ARG A 340 15.858 -8.023 4.907 1.00 0.00 C ATOM 1152 NH1 ARG A 340 17.020 -7.645 4.299 1.00 0.00 N ATOM 1153 NH2 ARG A 340 15.281 -9.216 4.577 1.00 0.00 N ATOM 0 H ARG A 340 14.475 -2.193 6.764 1.00 0.00 H new ATOM 0 HA ARG A 340 13.728 -3.949 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 340 13.137 -5.173 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 340 13.143 -5.997 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 340 15.570 -4.426 7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 340 15.311 -6.086 8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 340 15.608 -5.159 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 340 16.870 -5.913 6.362 1.00 0.00 H new ATOM 0 HE ARG A 340 14.422 -7.563 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 340 17.457 -6.756 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 340 17.452 -8.252 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 340 14.413 -9.505 5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 340 15.718 -9.818 3.879 1.00 0.00 H new ATOM 1167 N ARG A 341 11.669 -2.449 5.608 1.00 0.00 N ATOM 1168 CA ARG A 341 10.476 -1.815 5.112 1.00 0.00 C ATOM 1169 C ARG A 341 10.647 -1.609 3.634 1.00 0.00 C ATOM 1170 O ARG A 341 11.712 -1.177 3.223 1.00 0.00 O ATOM 1171 CB ARG A 341 10.150 -0.455 5.802 1.00 0.00 C ATOM 1172 CG ARG A 341 11.218 0.665 5.711 1.00 0.00 C ATOM 1173 CD ARG A 341 10.606 2.056 5.486 1.00 0.00 C ATOM 1174 NE ARG A 341 9.675 2.370 6.624 1.00 0.00 N ATOM 1175 CZ ARG A 341 8.807 3.430 6.607 1.00 0.00 C ATOM 1176 NH1 ARG A 341 8.777 4.293 5.552 1.00 0.00 N ATOM 1177 NH2 ARG A 341 7.965 3.624 7.665 1.00 0.00 N ATOM 0 H ARG A 341 12.496 -1.902 5.369 1.00 0.00 H new ATOM 0 HA ARG A 341 9.633 -2.468 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 341 9.224 -0.073 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 341 9.956 -0.650 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 341 11.805 0.676 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 341 11.905 0.440 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 341 11.393 2.808 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 341 10.066 2.081 4.540 1.00 0.00 H new ATOM 0 HE ARG A 341 9.690 1.766 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 341 9.406 4.154 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 341 8.125 5.078 5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 341 7.986 2.983 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 341 7.315 4.410 7.662 1.00 0.00 H new ATOM 1191 N ILE A 342 9.619 -1.917 2.801 1.00 0.00 N ATOM 1192 CA ILE A 342 9.470 -1.563 1.374 1.00 0.00 C ATOM 1193 C ILE A 342 8.384 -0.558 1.520 1.00 0.00 C ATOM 1194 O ILE A 342 7.434 -0.903 2.221 1.00 0.00 O ATOM 1195 CB ILE A 342 8.937 -2.718 0.499 1.00 0.00 C ATOM 1196 CG1 ILE A 342 8.813 -4.114 1.181 1.00 0.00 C ATOM 1197 CG2 ILE A 342 9.689 -2.712 -0.840 1.00 0.00 C ATOM 1198 CD1 ILE A 342 10.087 -4.858 1.593 1.00 0.00 C ATOM 0 H ILE A 342 8.821 -2.456 3.136 1.00 0.00 H new ATOM 0 HA ILE A 342 10.404 -1.264 0.898 1.00 0.00 H new ATOM 0 HB ILE A 342 7.882 -2.517 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 342 8.202 -3.990 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 342 8.258 -4.763 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 342 9.321 -3.524 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 342 9.525 -1.760 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 342 10.755 -2.848 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 342 9.820 -5.810 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 342 10.703 -5.039 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 342 10.645 -4.255 2.309 1.00 0.00 H new ATOM 1210 N SER A 343 8.418 0.704 0.963 1.00 0.00 N ATOM 1211 CA SER A 343 7.315 1.567 1.479 1.00 0.00 C ATOM 1212 C SER A 343 6.274 1.622 0.430 1.00 0.00 C ATOM 1213 O SER A 343 6.359 2.450 -0.450 1.00 0.00 O ATOM 1214 CB SER A 343 7.724 3.006 1.946 1.00 0.00 C ATOM 1215 OG SER A 343 6.827 3.596 2.899 1.00 0.00 O ATOM 0 H SER A 343 9.072 1.088 0.281 1.00 0.00 H new ATOM 0 HA SER A 343 6.955 1.108 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 343 8.722 2.964 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 343 7.785 3.655 1.072 1.00 0.00 H new ATOM 0 HG SER A 343 5.902 3.383 2.654 1.00 0.00 H new ATOM 1221 N LEU A 344 5.225 0.772 0.462 1.00 0.00 N ATOM 1222 CA LEU A 344 4.331 0.754 -0.666 1.00 0.00 C ATOM 1223 C LEU A 344 3.157 1.644 -0.358 1.00 0.00 C ATOM 1224 O LEU A 344 2.567 1.529 0.704 1.00 0.00 O ATOM 1225 CB LEU A 344 3.688 -0.670 -0.734 1.00 0.00 C ATOM 1226 CG LEU A 344 4.599 -1.878 -1.035 1.00 0.00 C ATOM 1227 CD1 LEU A 344 5.665 -1.603 -2.074 1.00 0.00 C ATOM 1228 CD2 LEU A 344 5.199 -2.494 0.221 1.00 0.00 C ATOM 0 H LEU A 344 5.001 0.130 1.222 1.00 0.00 H new ATOM 0 HA LEU A 344 4.874 1.046 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.195 -0.857 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.909 -0.645 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 344 3.929 -2.617 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 344 6.263 -2.501 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.192 -1.316 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.309 -0.794 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 344 5.830 -3.339 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.799 -1.747 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 344 4.398 -2.837 0.876 1.00 0.00 H new ATOM 1240 N GLY A 345 2.714 2.467 -1.321 1.00 0.00 N ATOM 1241 CA GLY A 345 1.594 3.398 -1.026 1.00 0.00 C ATOM 1242 C GLY A 345 0.624 3.346 -2.178 1.00 0.00 C ATOM 1243 O GLY A 345 1.031 3.397 -3.327 1.00 0.00 O ATOM 0 H GLY A 345 3.087 2.515 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 345 1.098 3.114 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 345 1.969 4.412 -0.890 1.00 0.00 H new ATOM 1247 N LEU A 346 -0.679 3.111 -1.870 1.00 0.00 N ATOM 1248 CA LEU A 346 -1.835 2.766 -2.711 1.00 0.00 C ATOM 1249 C LEU A 346 -2.133 3.502 -4.038 1.00 0.00 C ATOM 1250 O LEU A 346 -1.738 4.647 -4.231 1.00 0.00 O ATOM 1251 CB LEU A 346 -3.111 2.869 -1.830 1.00 0.00 C ATOM 1252 CG LEU A 346 -3.410 1.605 -1.010 1.00 0.00 C ATOM 1253 CD1 LEU A 346 -2.278 0.965 -0.215 1.00 0.00 C ATOM 1254 CD2 LEU A 346 -4.602 1.850 -0.085 1.00 0.00 C ATOM 0 H LEU A 346 -0.971 3.169 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 346 -1.545 1.778 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 346 -3.003 3.714 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 346 -3.966 3.084 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 346 -3.616 0.868 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 346 -2.653 0.084 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 346 -1.477 0.671 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 346 -1.893 1.681 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 346 -4.806 0.948 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 346 -4.373 2.671 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 346 -5.478 2.106 -0.681 1.00 0.00 H new ATOM 1266 N LYS A 347 -2.871 2.852 -4.994 1.00 0.00 N ATOM 1267 CA LYS A 347 -3.161 3.456 -6.285 1.00 0.00 C ATOM 1268 C LYS A 347 -4.650 3.291 -6.531 1.00 0.00 C ATOM 1269 O LYS A 347 -5.412 4.263 -6.564 1.00 0.00 O ATOM 1270 CB LYS A 347 -2.218 2.827 -7.348 1.00 0.00 C ATOM 1271 CG LYS A 347 -2.040 3.648 -8.632 1.00 0.00 C ATOM 1272 CD LYS A 347 -1.011 3.011 -9.576 1.00 0.00 C ATOM 1273 CE LYS A 347 -0.766 3.814 -10.861 1.00 0.00 C ATOM 1274 NZ LYS A 347 -0.167 5.136 -10.566 1.00 0.00 N ATOM 0 H LYS A 347 -3.262 1.918 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 347 -2.960 4.526 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -1.238 2.673 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -2.604 1.843 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -2.998 3.735 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -1.722 4.659 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -0.066 2.897 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -1.349 2.010 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -0.106 3.253 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -1.708 3.950 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 0.080 5.612 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -0.851 5.718 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 0.691 5.008 -9.993 1.00 0.00 H new ATOM 1288 N GLN A 348 -5.125 2.023 -6.627 1.00 0.00 N ATOM 1289 CA GLN A 348 -6.542 1.716 -6.716 1.00 0.00 C ATOM 1290 C GLN A 348 -6.958 0.265 -6.457 1.00 0.00 C ATOM 1291 O GLN A 348 -6.534 -0.674 -7.126 1.00 0.00 O ATOM 1292 CB GLN A 348 -7.180 2.188 -8.060 1.00 0.00 C ATOM 1293 CG GLN A 348 -6.494 1.654 -9.343 1.00 0.00 C ATOM 1294 CD GLN A 348 -7.451 0.800 -10.175 1.00 0.00 C ATOM 1295 OE1 GLN A 348 -7.974 1.237 -11.201 1.00 0.00 O ATOM 1296 NE2 GLN A 348 -7.699 -0.449 -9.714 1.00 0.00 N ATOM 0 H GLN A 348 -4.523 1.199 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 348 -6.934 2.292 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 348 -8.226 1.883 -8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 348 -7.166 3.278 -8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 348 -6.138 2.492 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 348 -5.620 1.063 -9.070 1.00 0.00 H new ATOM 0 HE21 GLN A 348 -7.247 -0.777 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 348 -8.338 -1.062 -10.221 1.00 0.00 H new ATOM 1305 N CYS A 349 -7.887 0.135 -5.471 1.00 0.00 N ATOM 1306 CA CYS A 349 -8.774 -0.876 -4.906 1.00 0.00 C ATOM 1307 C CYS A 349 -9.607 -1.697 -5.874 1.00 0.00 C ATOM 1308 O CYS A 349 -9.990 -1.264 -6.959 1.00 0.00 O ATOM 1309 CB CYS A 349 -9.684 -0.225 -3.811 1.00 0.00 C ATOM 1310 SG CYS A 349 -10.527 1.322 -4.329 1.00 0.00 S ATOM 0 H CYS A 349 -8.051 0.983 -4.928 1.00 0.00 H new ATOM 0 HA CYS A 349 -8.095 -1.616 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 349 -10.440 -0.950 -3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 349 -9.075 -0.013 -2.932 1.00 0.00 H new ATOM 0 HG CYS A 349 -9.654 2.145 -4.831 1.00 0.00 H new ATOM 1316 N LYS A 350 -9.920 -2.937 -5.424 1.00 0.00 N ATOM 1317 CA LYS A 350 -10.718 -3.956 -6.108 1.00 0.00 C ATOM 1318 C LYS A 350 -12.225 -3.649 -6.228 1.00 0.00 C ATOM 1319 O LYS A 350 -12.783 -2.807 -5.525 1.00 0.00 O ATOM 1320 CB LYS A 350 -10.503 -5.303 -5.359 1.00 0.00 C ATOM 1321 CG LYS A 350 -10.864 -6.614 -6.087 1.00 0.00 C ATOM 1322 CD LYS A 350 -10.048 -6.852 -7.366 1.00 0.00 C ATOM 1323 CE LYS A 350 -10.359 -8.207 -8.015 1.00 0.00 C ATOM 1324 NZ LYS A 350 -9.537 -8.415 -9.230 1.00 0.00 N ATOM 0 H LYS A 350 -9.595 -3.262 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 350 -10.370 -3.991 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 350 -9.452 -5.360 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 350 -11.082 -5.266 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 350 -10.710 -7.452 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 350 -11.924 -6.599 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 350 -10.255 -6.054 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 350 -8.985 -6.801 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 350 -10.168 -9.008 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 350 -11.417 -8.256 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -9.766 -9.338 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 -9.738 -7.662 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 -8.529 -8.391 -8.975 1.00 0.00 H new ATOM 1338 N ALA A 351 -12.943 -4.357 -7.144 1.00 0.00 N ATOM 1339 CA ALA A 351 -14.372 -4.204 -7.433 1.00 0.00 C ATOM 1340 C ALA A 351 -15.216 -5.338 -6.841 1.00 0.00 C ATOM 1341 O ALA A 351 -16.325 -5.644 -7.273 1.00 0.00 O ATOM 1342 CB ALA A 351 -14.574 -4.088 -8.962 1.00 0.00 C ATOM 0 H ALA A 351 -12.509 -5.079 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 351 -14.721 -3.290 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 351 -15.636 -3.974 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 351 -14.031 -3.220 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 351 -14.198 -4.988 -9.448 1.00 0.00 H new ATOM 1348 N ASN A 352 -14.655 -5.950 -5.779 1.00 0.00 N ATOM 1349 CA ASN A 352 -15.171 -7.024 -4.947 1.00 0.00 C ATOM 1350 C ASN A 352 -14.181 -7.291 -3.789 1.00 0.00 C ATOM 1351 O ASN A 352 -13.865 -8.463 -3.577 1.00 0.00 O ATOM 1352 CB ASN A 352 -15.520 -8.337 -5.746 1.00 0.00 C ATOM 1353 CG ASN A 352 -14.380 -8.953 -6.582 1.00 0.00 C ATOM 1354 OD1 ASN A 352 -14.037 -8.477 -7.663 1.00 0.00 O ATOM 1355 ND2 ASN A 352 -13.801 -10.078 -6.089 1.00 0.00 N ATOM 0 H ASN A 352 -13.730 -5.663 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 352 -16.126 -6.695 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 352 -15.867 -9.087 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 352 -16.354 -8.120 -6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 352 -13.065 -10.547 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 352 -14.102 -10.454 -5.190 1.00 0.00 H new ATOM 1362 N PRO A 353 -13.713 -6.288 -2.966 1.00 0.00 N ATOM 1363 CA PRO A 353 -12.589 -6.388 -2.018 1.00 0.00 C ATOM 1364 C PRO A 353 -12.705 -7.454 -0.928 1.00 0.00 C ATOM 1365 O PRO A 353 -11.712 -8.137 -0.684 1.00 0.00 O ATOM 1366 CB PRO A 353 -12.410 -4.945 -1.477 1.00 0.00 C ATOM 1367 CG PRO A 353 -13.766 -4.278 -1.718 1.00 0.00 C ATOM 1368 CD PRO A 353 -14.166 -4.901 -3.046 1.00 0.00 C ATOM 0 HA PRO A 353 -11.701 -6.757 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -12.150 -4.947 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -11.610 -4.421 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -14.481 -4.501 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -13.686 -3.193 -1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -15.244 -4.846 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -13.699 -4.381 -3.882 1.00 0.00 H new