USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 284 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 421 CYS SG : rot -167:sc= -1.16 USER MOD Set 1.2: A 427 CYS SG : rot -97:sc= -2.07 USER MOD Set 1.3: A 434 HIS : no HD1:sc= -1.75 K(o=-5.2,f=-8.1) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -0.167 K(o=-5.2,f=-9.8) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 62:sc= 1.18 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.9!) USER MOD Single : A 433 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.8!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.5) USER MOD Single : A 442 THR OG1 : rot 170:sc= -2.6! USER MOD Single : A 447 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -0.817 -8.779 -9.407 1.00 0.00 N ATOM 149 CA ASP A 416 0.318 -8.035 -10.054 1.00 0.00 C ATOM 150 C ASP A 416 1.686 -8.319 -9.385 1.00 0.00 C ATOM 151 O ASP A 416 2.593 -7.517 -9.505 1.00 0.00 O ATOM 152 CB ASP A 416 -0.037 -6.551 -9.916 1.00 0.00 C ATOM 153 CG ASP A 416 -0.801 -6.088 -11.159 1.00 0.00 C ATOM 154 OD1 ASP A 416 -1.968 -6.430 -11.273 1.00 0.00 O ATOM 155 OD2 ASP A 416 -0.208 -5.401 -11.974 1.00 0.00 O ATOM 0 HA ASP A 416 0.431 -8.351 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.644 -6.393 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.870 -5.960 -9.793 1.00 0.00 H new ATOM 160 N ASP A 417 1.845 -9.417 -8.649 1.00 0.00 N ATOM 161 CA ASP A 417 3.140 -9.707 -7.952 1.00 0.00 C ATOM 162 C ASP A 417 3.281 -8.711 -6.804 1.00 0.00 C ATOM 163 O ASP A 417 4.307 -8.075 -6.643 1.00 0.00 O ATOM 164 CB ASP A 417 4.278 -9.544 -8.976 1.00 0.00 C ATOM 165 CG ASP A 417 5.436 -10.474 -8.609 1.00 0.00 C ATOM 166 OD1 ASP A 417 5.378 -11.634 -8.983 1.00 0.00 O ATOM 167 OD2 ASP A 417 6.360 -10.011 -7.961 1.00 0.00 O ATOM 0 H ASP A 417 1.121 -10.121 -8.508 1.00 0.00 H new ATOM 0 HA ASP A 417 3.174 -10.720 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.916 -9.776 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.620 -8.509 -8.993 1.00 0.00 H new ATOM 172 N ARG A 418 2.240 -8.563 -6.006 1.00 0.00 N ATOM 173 CA ARG A 418 2.311 -7.600 -4.877 1.00 0.00 C ATOM 174 C ARG A 418 2.436 -8.351 -3.532 1.00 0.00 C ATOM 175 O ARG A 418 1.798 -9.367 -3.339 1.00 0.00 O ATOM 176 CB ARG A 418 1.013 -6.786 -4.945 1.00 0.00 C ATOM 177 CG ARG A 418 1.137 -5.726 -6.049 1.00 0.00 C ATOM 178 CD ARG A 418 0.228 -4.530 -5.737 1.00 0.00 C ATOM 179 NE ARG A 418 -0.604 -4.333 -6.967 1.00 0.00 N ATOM 180 CZ ARG A 418 -1.676 -5.074 -7.201 1.00 0.00 C ATOM 181 NH1 ARG A 418 -2.032 -6.043 -6.390 1.00 0.00 N ATOM 182 NH2 ARG A 418 -2.396 -4.846 -8.270 1.00 0.00 N ATOM 0 H ARG A 418 1.358 -9.067 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 418 3.185 -6.952 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 418 0.168 -7.444 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.820 -6.307 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 418 2.172 -5.394 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 418 0.864 -6.159 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -0.398 -4.728 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 418 0.814 -3.639 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 418 -0.339 -3.613 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.478 -6.240 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -2.863 -6.599 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -2.130 -4.102 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -3.223 -5.412 -8.458 1.00 0.00 H new ATOM 196 N PRO A 419 3.265 -7.835 -2.642 1.00 0.00 N ATOM 197 CA PRO A 419 3.471 -8.481 -1.328 1.00 0.00 C ATOM 198 C PRO A 419 2.319 -8.157 -0.350 1.00 0.00 C ATOM 199 O PRO A 419 1.376 -8.916 -0.262 1.00 0.00 O ATOM 200 CB PRO A 419 4.817 -7.927 -0.860 1.00 0.00 C ATOM 201 CG PRO A 419 4.986 -6.619 -1.575 1.00 0.00 C ATOM 202 CD PRO A 419 4.073 -6.622 -2.776 1.00 0.00 C ATOM 0 HA PRO A 419 3.476 -9.570 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.829 -7.787 0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.629 -8.613 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.742 -5.788 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 419 6.022 -6.485 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.445 -5.731 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.644 -6.630 -3.704 1.00 0.00 H new ATOM 210 N GLU A 420 2.362 -7.051 0.385 1.00 0.00 N ATOM 211 CA GLU A 420 1.244 -6.709 1.353 1.00 0.00 C ATOM 212 C GLU A 420 1.629 -5.458 2.181 1.00 0.00 C ATOM 213 O GLU A 420 2.482 -5.535 3.046 1.00 0.00 O ATOM 214 CB GLU A 420 1.078 -7.911 2.306 1.00 0.00 C ATOM 215 CG GLU A 420 2.442 -8.330 2.886 1.00 0.00 C ATOM 216 CD GLU A 420 2.447 -8.127 4.405 1.00 0.00 C ATOM 217 OE1 GLU A 420 1.714 -8.832 5.079 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.183 -7.270 4.866 1.00 0.00 O ATOM 0 H GLU A 420 3.122 -6.372 0.356 1.00 0.00 H new ATOM 0 HA GLU A 420 0.321 -6.502 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.396 -7.650 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.631 -8.748 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 420 2.642 -9.375 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 420 3.238 -7.742 2.429 1.00 0.00 H new ATOM 225 N CYS A 421 1.023 -4.312 1.929 1.00 0.00 N ATOM 226 CA CYS A 421 1.390 -3.075 2.718 1.00 0.00 C ATOM 227 C CYS A 421 1.244 -3.330 4.232 1.00 0.00 C ATOM 228 O CYS A 421 0.268 -3.916 4.657 1.00 0.00 O ATOM 229 CB CYS A 421 0.405 -1.975 2.281 1.00 0.00 C ATOM 230 SG CYS A 421 0.837 -0.405 3.075 1.00 0.00 S ATOM 0 H CYS A 421 0.300 -4.178 1.222 1.00 0.00 H new ATOM 0 HA CYS A 421 2.425 -2.790 2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.430 -1.863 1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.613 -2.259 2.549 1.00 0.00 H new ATOM 0 HG CYS A 421 -0.140 0.440 2.927 1.00 0.00 H new ATOM 235 N PRO A 422 2.209 -2.873 5.008 1.00 0.00 N ATOM 236 CA PRO A 422 2.140 -3.060 6.480 1.00 0.00 C ATOM 237 C PRO A 422 1.053 -2.156 7.092 1.00 0.00 C ATOM 238 O PRO A 422 0.406 -2.533 8.051 1.00 0.00 O ATOM 239 CB PRO A 422 3.528 -2.648 6.967 1.00 0.00 C ATOM 240 CG PRO A 422 4.047 -1.722 5.916 1.00 0.00 C ATOM 241 CD PRO A 422 3.433 -2.152 4.610 1.00 0.00 C ATOM 0 HA PRO A 422 1.881 -4.080 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.475 -2.154 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.178 -3.515 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.782 -0.690 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.135 -1.768 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.203 -1.295 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.108 -2.794 4.045 1.00 0.00 H new ATOM 249 N TYR A 423 0.832 -0.972 6.545 1.00 0.00 N ATOM 250 CA TYR A 423 -0.236 -0.070 7.119 1.00 0.00 C ATOM 251 C TYR A 423 -1.602 -0.787 7.105 1.00 0.00 C ATOM 252 O TYR A 423 -2.363 -0.684 8.049 1.00 0.00 O ATOM 253 CB TYR A 423 -0.266 1.192 6.230 1.00 0.00 C ATOM 254 CG TYR A 423 1.066 1.904 6.310 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.687 2.117 7.576 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.688 2.386 5.121 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.926 2.805 7.655 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.928 3.076 5.207 1.00 0.00 C ATOM 259 CZ TYR A 423 3.546 3.283 6.473 1.00 0.00 C ATOM 260 OH TYR A 423 4.750 3.946 6.555 1.00 0.00 O ATOM 0 H TYR A 423 1.335 -0.597 5.741 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.023 0.192 8.155 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.480 0.916 5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.065 1.858 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.214 1.754 8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.220 2.228 4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.396 2.964 8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.403 3.444 4.309 1.00 0.00 H new ATOM 0 HH TYR A 423 5.041 4.207 5.657 1.00 0.00 H new ATOM 270 N GLY A 424 -1.912 -1.529 6.058 1.00 0.00 N ATOM 271 CA GLY A 424 -3.215 -2.264 6.018 1.00 0.00 C ATOM 272 C GLY A 424 -4.340 -1.356 5.485 1.00 0.00 C ATOM 273 O GLY A 424 -4.110 -0.551 4.606 1.00 0.00 O ATOM 0 H GLY A 424 -1.319 -1.653 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -3.121 -3.145 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.469 -2.617 7.017 1.00 0.00 H new ATOM 277 N PRO A 425 -5.535 -1.522 6.028 1.00 0.00 N ATOM 278 CA PRO A 425 -6.700 -0.707 5.575 1.00 0.00 C ATOM 279 C PRO A 425 -6.542 0.772 5.975 1.00 0.00 C ATOM 280 O PRO A 425 -6.996 1.652 5.268 1.00 0.00 O ATOM 281 CB PRO A 425 -7.888 -1.344 6.293 1.00 0.00 C ATOM 282 CG PRO A 425 -7.298 -2.006 7.493 1.00 0.00 C ATOM 283 CD PRO A 425 -5.921 -2.460 7.099 1.00 0.00 C ATOM 0 HA PRO A 425 -6.811 -0.704 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.626 -0.594 6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.396 -2.065 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.252 -1.314 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.909 -2.851 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.229 -2.414 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.925 -3.491 6.746 1.00 0.00 H new ATOM 291 N SER A 426 -5.908 1.063 7.096 1.00 0.00 N ATOM 292 CA SER A 426 -5.735 2.498 7.518 1.00 0.00 C ATOM 293 C SER A 426 -4.416 3.048 6.953 1.00 0.00 C ATOM 294 O SER A 426 -3.577 3.540 7.684 1.00 0.00 O ATOM 295 CB SER A 426 -5.705 2.494 9.052 1.00 0.00 C ATOM 296 OG SER A 426 -4.409 2.110 9.494 1.00 0.00 O ATOM 0 H SER A 426 -5.506 0.374 7.732 1.00 0.00 H new ATOM 0 HA SER A 426 -6.542 3.130 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.954 3.484 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 426 -6.454 1.804 9.440 1.00 0.00 H new ATOM 0 HG SER A 426 -3.750 2.765 9.183 1.00 0.00 H new ATOM 302 N CYS A 427 -4.228 2.967 5.654 1.00 0.00 N ATOM 303 CA CYS A 427 -2.965 3.486 5.042 1.00 0.00 C ATOM 304 C CYS A 427 -3.114 4.975 4.687 1.00 0.00 C ATOM 305 O CYS A 427 -3.669 5.327 3.664 1.00 0.00 O ATOM 306 CB CYS A 427 -2.723 2.657 3.773 1.00 0.00 C ATOM 307 SG CYS A 427 -1.077 3.032 3.127 1.00 0.00 S ATOM 0 H CYS A 427 -4.894 2.565 4.995 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.128 3.399 5.735 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.806 1.593 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.482 2.885 3.024 1.00 0.00 H new ATOM 0 HG CYS A 427 -1.174 3.914 2.177 1.00 0.00 H new ATOM 312 N TYR A 428 -2.602 5.852 5.526 1.00 0.00 N ATOM 313 CA TYR A 428 -2.691 7.338 5.241 1.00 0.00 C ATOM 314 C TYR A 428 -1.825 7.745 4.005 1.00 0.00 C ATOM 315 O TYR A 428 -1.916 8.873 3.555 1.00 0.00 O ATOM 316 CB TYR A 428 -2.236 8.075 6.558 1.00 0.00 C ATOM 317 CG TYR A 428 -1.028 8.975 6.327 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.218 10.282 5.796 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.289 8.508 6.608 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.095 11.116 5.544 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.399 9.342 6.357 1.00 0.00 C ATOM 322 CZ TYR A 428 1.214 10.644 5.822 1.00 0.00 C ATOM 323 OH TYR A 428 2.306 11.453 5.577 1.00 0.00 O ATOM 0 H TYR A 428 -2.126 5.610 6.395 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.710 7.623 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.063 8.672 6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -1.995 7.335 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.215 10.640 5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.437 7.518 7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.238 12.108 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.396 8.988 6.573 1.00 0.00 H new ATOM 0 HH TYR A 428 3.127 10.978 5.824 1.00 0.00 H new ATOM 333 N ARG A 429 -1.013 6.865 3.440 1.00 0.00 N ATOM 334 CA ARG A 429 -0.205 7.265 2.245 1.00 0.00 C ATOM 335 C ARG A 429 -0.842 6.690 0.971 1.00 0.00 C ATOM 336 O ARG A 429 -1.333 5.576 0.966 1.00 0.00 O ATOM 337 CB ARG A 429 1.218 6.710 2.467 1.00 0.00 C ATOM 338 CG ARG A 429 1.210 5.174 2.523 1.00 0.00 C ATOM 339 CD ARG A 429 2.630 4.641 2.276 1.00 0.00 C ATOM 340 NE ARG A 429 3.045 5.129 0.911 1.00 0.00 N ATOM 341 CZ ARG A 429 4.323 5.170 0.562 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.269 4.756 1.375 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.658 5.622 -0.619 1.00 0.00 N ATOM 0 H ARG A 429 -0.882 5.904 3.755 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.170 8.348 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.872 7.044 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.627 7.109 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.848 4.837 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.526 4.776 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.317 5.002 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.648 3.552 2.319 1.00 0.00 H new ATOM 0 HE ARG A 429 2.332 5.432 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 429 5.026 4.393 2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.246 4.797 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.937 5.941 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.640 5.656 -0.892 1.00 0.00 H new ATOM 357 N LYS A 430 -0.853 7.444 -0.108 1.00 0.00 N ATOM 358 CA LYS A 430 -1.467 6.935 -1.368 1.00 0.00 C ATOM 359 C LYS A 430 -0.636 7.392 -2.573 1.00 0.00 C ATOM 360 O LYS A 430 -1.072 8.212 -3.359 1.00 0.00 O ATOM 361 CB LYS A 430 -2.869 7.540 -1.402 1.00 0.00 C ATOM 362 CG LYS A 430 -3.848 6.576 -0.729 1.00 0.00 C ATOM 363 CD LYS A 430 -5.238 7.211 -0.665 1.00 0.00 C ATOM 364 CE LYS A 430 -6.028 6.594 0.493 1.00 0.00 C ATOM 365 NZ LYS A 430 -6.869 5.538 -0.134 1.00 0.00 N ATOM 0 H LYS A 430 -0.463 8.385 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.505 5.846 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -2.876 8.502 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -3.173 7.726 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -3.891 5.640 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.502 6.334 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.151 8.289 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -5.766 7.052 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -5.361 6.173 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -6.642 7.342 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -7.440 5.069 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -7.498 5.969 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -6.257 4.837 -0.598 1.00 0.00 H new ATOM 379 N ASN A 431 0.557 6.858 -2.731 1.00 0.00 N ATOM 380 CA ASN A 431 1.410 7.260 -3.899 1.00 0.00 C ATOM 381 C ASN A 431 1.120 6.322 -5.076 1.00 0.00 C ATOM 382 O ASN A 431 0.520 5.281 -4.886 1.00 0.00 O ATOM 383 CB ASN A 431 2.865 7.107 -3.428 1.00 0.00 C ATOM 384 CG ASN A 431 3.176 8.176 -2.373 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.524 8.236 -1.350 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.151 9.028 -2.572 1.00 0.00 N ATOM 0 H ASN A 431 0.973 6.167 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 431 1.213 8.280 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.021 6.112 -3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.545 7.207 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.360 9.737 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.702 8.982 -3.429 1.00 0.00 H new ATOM 393 N PRO A 432 1.549 6.701 -6.261 1.00 0.00 N ATOM 394 CA PRO A 432 1.304 5.840 -7.440 1.00 0.00 C ATOM 395 C PRO A 432 2.093 4.527 -7.313 1.00 0.00 C ATOM 396 O PRO A 432 1.537 3.458 -7.477 1.00 0.00 O ATOM 397 CB PRO A 432 1.775 6.692 -8.619 1.00 0.00 C ATOM 398 CG PRO A 432 2.742 7.667 -8.033 1.00 0.00 C ATOM 399 CD PRO A 432 2.287 7.926 -6.619 1.00 0.00 C ATOM 0 HA PRO A 432 0.262 5.540 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.249 6.078 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 432 0.938 7.204 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 432 3.755 7.264 -8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 432 2.759 8.591 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.132 8.095 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.651 8.809 -6.558 1.00 0.00 H new ATOM 407 N GLN A 433 3.377 4.587 -7.021 1.00 0.00 N ATOM 408 CA GLN A 433 4.168 3.323 -6.887 1.00 0.00 C ATOM 409 C GLN A 433 3.825 2.572 -5.575 1.00 0.00 C ATOM 410 O GLN A 433 4.105 1.394 -5.456 1.00 0.00 O ATOM 411 CB GLN A 433 5.663 3.721 -6.950 1.00 0.00 C ATOM 412 CG GLN A 433 6.097 4.509 -5.700 1.00 0.00 C ATOM 413 CD GLN A 433 6.291 3.559 -4.515 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.761 3.796 -3.449 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.025 2.486 -4.646 1.00 0.00 N ATOM 0 H GLN A 433 3.903 5.448 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 433 3.925 2.629 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.275 2.824 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 433 5.842 4.324 -7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.025 5.043 -5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.345 5.259 -5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.473 2.281 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.150 1.854 -3.855 1.00 0.00 H new ATOM 424 N HIS A 434 3.249 3.230 -4.576 1.00 0.00 N ATOM 425 CA HIS A 434 2.938 2.498 -3.294 1.00 0.00 C ATOM 426 C HIS A 434 1.791 1.491 -3.509 1.00 0.00 C ATOM 427 O HIS A 434 1.830 0.399 -2.972 1.00 0.00 O ATOM 428 CB HIS A 434 2.550 3.557 -2.240 1.00 0.00 C ATOM 429 CG HIS A 434 2.165 2.866 -0.954 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.073 2.126 -0.202 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.959 2.734 -0.315 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.391 1.580 0.825 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.106 1.923 0.792 1.00 0.00 N ATOM 0 H HIS A 434 2.988 4.216 -4.594 1.00 0.00 H new ATOM 0 HA HIS A 434 3.805 1.929 -2.957 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.385 4.235 -2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.719 4.161 -2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.034 3.195 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.832 0.945 1.579 1.00 0.00 H new ATOM 0 HE2 HIS A 434 0.378 1.644 1.450 1.00 0.00 H new ATOM 441 N LYS A 435 0.786 1.822 -4.296 1.00 0.00 N ATOM 442 CA LYS A 435 -0.329 0.827 -4.530 1.00 0.00 C ATOM 443 C LYS A 435 0.170 -0.339 -5.416 1.00 0.00 C ATOM 444 O LYS A 435 -0.394 -1.417 -5.393 1.00 0.00 O ATOM 445 CB LYS A 435 -1.468 1.591 -5.230 1.00 0.00 C ATOM 446 CG LYS A 435 -2.370 2.242 -4.177 1.00 0.00 C ATOM 447 CD LYS A 435 -1.948 3.699 -3.962 1.00 0.00 C ATOM 448 CE LYS A 435 -2.422 4.551 -5.141 1.00 0.00 C ATOM 449 NZ LYS A 435 -3.810 4.957 -4.788 1.00 0.00 N ATOM 0 H LYS A 435 0.686 2.716 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.674 0.396 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -1.056 2.353 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.049 0.909 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.410 2.199 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.304 1.692 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.373 4.078 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -0.864 3.764 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -1.780 5.421 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.401 3.984 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.204 5.545 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.399 4.109 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -3.798 5.501 -3.902 1.00 0.00 H new ATOM 463 N ILE A 436 1.247 -0.148 -6.163 1.00 0.00 N ATOM 464 CA ILE A 436 1.785 -1.280 -6.995 1.00 0.00 C ATOM 465 C ILE A 436 2.893 -2.006 -6.201 1.00 0.00 C ATOM 466 O ILE A 436 2.985 -3.219 -6.253 1.00 0.00 O ATOM 467 CB ILE A 436 2.262 -0.724 -8.387 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.346 -1.644 -9.017 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.789 0.714 -8.317 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.745 -1.343 -8.437 1.00 0.00 C ATOM 0 H ILE A 436 1.765 0.728 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 436 1.013 -2.020 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 436 1.374 -0.715 -9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.091 -2.688 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.361 -1.505 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.101 1.036 -9.310 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.001 1.373 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.640 0.757 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.480 -2.003 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.009 -0.306 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.735 -1.507 -7.360 1.00 0.00 H new ATOM 482 N GLU A 437 3.717 -1.293 -5.453 1.00 0.00 N ATOM 483 CA GLU A 437 4.782 -2.001 -4.654 1.00 0.00 C ATOM 484 C GLU A 437 4.118 -2.884 -3.589 1.00 0.00 C ATOM 485 O GLU A 437 4.512 -4.013 -3.405 1.00 0.00 O ATOM 486 CB GLU A 437 5.660 -0.925 -3.984 1.00 0.00 C ATOM 487 CG GLU A 437 6.940 -0.722 -4.805 1.00 0.00 C ATOM 488 CD GLU A 437 8.143 -0.613 -3.867 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.163 0.306 -3.064 1.00 0.00 O ATOM 490 OE2 GLU A 437 9.025 -1.451 -3.967 1.00 0.00 O ATOM 0 H GLU A 437 3.700 -0.277 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 437 5.393 -2.636 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.110 0.013 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.912 -1.228 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.078 -1.556 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 437 6.856 0.181 -5.410 1.00 0.00 H new ATOM 497 N TYR A 438 3.116 -2.383 -2.885 1.00 0.00 N ATOM 498 CA TYR A 438 2.433 -3.206 -1.843 1.00 0.00 C ATOM 499 C TYR A 438 0.929 -3.277 -2.151 1.00 0.00 C ATOM 500 O TYR A 438 0.413 -2.462 -2.892 1.00 0.00 O ATOM 501 CB TYR A 438 2.668 -2.455 -0.530 1.00 0.00 C ATOM 502 CG TYR A 438 4.137 -2.481 -0.178 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.721 -3.662 0.355 1.00 0.00 C ATOM 504 CD2 TYR A 438 4.935 -1.322 -0.377 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.102 -3.684 0.689 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.316 -1.344 -0.042 1.00 0.00 C ATOM 507 CZ TYR A 438 6.900 -2.525 0.490 1.00 0.00 C ATOM 508 OH TYR A 438 8.240 -2.546 0.814 1.00 0.00 O ATOM 0 H TYR A 438 2.749 -1.438 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 438 2.810 -4.228 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.326 -1.424 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.085 -2.912 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.115 -4.543 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.492 -0.425 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.545 -4.582 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.922 -0.463 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 438 8.638 -1.673 0.615 1.00 0.00 H new ATOM 518 N ARG A 439 0.209 -4.211 -1.563 1.00 0.00 N ATOM 519 CA ARG A 439 -1.265 -4.283 -1.800 1.00 0.00 C ATOM 520 C ARG A 439 -1.984 -4.124 -0.451 1.00 0.00 C ATOM 521 O ARG A 439 -1.417 -4.434 0.580 1.00 0.00 O ATOM 522 CB ARG A 439 -1.534 -5.667 -2.413 1.00 0.00 C ATOM 523 CG ARG A 439 -1.161 -6.788 -1.431 1.00 0.00 C ATOM 524 CD ARG A 439 -1.862 -8.077 -1.859 1.00 0.00 C ATOM 525 NE ARG A 439 -1.528 -9.068 -0.791 1.00 0.00 N ATOM 526 CZ ARG A 439 -2.059 -8.982 0.419 1.00 0.00 C ATOM 527 NH1 ARG A 439 -2.931 -8.045 0.720 1.00 0.00 N ATOM 528 NH2 ARG A 439 -1.719 -9.848 1.339 1.00 0.00 N ATOM 0 H ARG A 439 0.582 -4.921 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.624 -3.500 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.587 -5.751 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -0.960 -5.779 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.081 -6.933 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.458 -6.516 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.939 -7.933 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.510 -8.413 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 439 -0.878 -9.826 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -3.212 -7.364 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -3.326 -7.999 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -1.048 -10.585 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -2.125 -9.786 2.273 1.00 0.00 H new ATOM 542 N HIS A 440 -3.203 -3.633 -0.433 1.00 0.00 N ATOM 543 CA HIS A 440 -3.903 -3.453 0.884 1.00 0.00 C ATOM 544 C HIS A 440 -5.025 -4.488 1.105 1.00 0.00 C ATOM 545 O HIS A 440 -5.469 -4.666 2.226 1.00 0.00 O ATOM 546 CB HIS A 440 -4.469 -2.027 0.854 1.00 0.00 C ATOM 547 CG HIS A 440 -3.329 -1.059 0.698 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.779 -0.766 -0.543 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.574 -0.362 1.613 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.737 0.058 -0.342 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.574 0.335 0.954 1.00 0.00 N ATOM 0 H HIS A 440 -3.736 -3.353 -1.256 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.210 -3.605 1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.173 -1.917 0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -5.018 -1.819 1.772 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.107 -1.114 -1.444 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.736 -0.359 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.110 0.448 -1.130 1.00 0.00 H new ATOM 559 N ASN A 441 -5.501 -5.170 0.078 1.00 0.00 N ATOM 560 CA ASN A 441 -6.589 -6.162 0.293 1.00 0.00 C ATOM 561 C ASN A 441 -6.293 -7.457 -0.484 1.00 0.00 C ATOM 562 O ASN A 441 -5.966 -7.425 -1.655 1.00 0.00 O ATOM 563 CB ASN A 441 -7.856 -5.479 -0.233 1.00 0.00 C ATOM 564 CG ASN A 441 -7.697 -5.170 -1.730 1.00 0.00 C ATOM 565 OD1 ASN A 441 -8.130 -5.941 -2.565 1.00 0.00 O ATOM 566 ND2 ASN A 441 -7.093 -4.073 -2.111 1.00 0.00 N ATOM 0 H ASN A 441 -5.180 -5.076 -0.886 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.691 -6.448 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.720 -6.124 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -8.040 -4.558 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -6.987 -3.868 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.728 -3.423 -1.414 1.00 0.00 H new ATOM 573 N THR A 442 -6.411 -8.592 0.164 1.00 0.00 N ATOM 574 CA THR A 442 -6.148 -9.892 -0.518 1.00 0.00 C ATOM 575 C THR A 442 -7.480 -10.598 -0.776 1.00 0.00 C ATOM 576 O THR A 442 -7.757 -11.648 -0.223 1.00 0.00 O ATOM 577 CB THR A 442 -5.272 -10.705 0.444 1.00 0.00 C ATOM 578 OG1 THR A 442 -4.584 -9.820 1.325 1.00 0.00 O ATOM 579 CG2 THR A 442 -4.257 -11.516 -0.361 1.00 0.00 C ATOM 0 H THR A 442 -6.681 -8.670 1.145 1.00 0.00 H new ATOM 0 HA THR A 442 -5.648 -9.766 -1.479 1.00 0.00 H new ATOM 0 HB THR A 442 -5.899 -11.380 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.154 -10.337 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 442 -3.632 -12.095 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 442 -4.784 -12.192 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.630 -10.840 -0.942 1.00 0.00 H new ATOM 587 N LEU A 443 -8.306 -10.032 -1.625 1.00 0.00 N ATOM 588 CA LEU A 443 -9.621 -10.668 -1.941 1.00 0.00 C ATOM 589 C LEU A 443 -9.640 -11.162 -3.399 1.00 0.00 C ATOM 590 O LEU A 443 -8.866 -10.697 -4.213 1.00 0.00 O ATOM 591 CB LEU A 443 -10.661 -9.565 -1.739 1.00 0.00 C ATOM 592 CG LEU A 443 -11.198 -9.623 -0.312 1.00 0.00 C ATOM 593 CD1 LEU A 443 -10.116 -9.149 0.661 1.00 0.00 C ATOM 594 CD2 LEU A 443 -12.422 -8.711 -0.198 1.00 0.00 C ATOM 0 H LEU A 443 -8.123 -9.155 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 443 -9.818 -11.534 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -10.213 -8.590 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -11.478 -9.686 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 443 -11.479 -10.647 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.500 -9.190 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -9.242 -9.795 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.835 -8.124 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.810 -8.748 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -12.137 -7.687 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -13.192 -9.047 -0.892 1.00 0.00 H new ATOM 606 N PRO A 444 -10.526 -12.093 -3.686 1.00 0.00 N ATOM 607 CA PRO A 444 -10.628 -12.640 -5.065 1.00 0.00 C ATOM 608 C PRO A 444 -11.274 -11.622 -6.015 1.00 0.00 C ATOM 609 O PRO A 444 -11.598 -10.517 -5.620 1.00 0.00 O ATOM 610 CB PRO A 444 -11.523 -13.866 -4.902 1.00 0.00 C ATOM 611 CG PRO A 444 -12.334 -13.596 -3.674 1.00 0.00 C ATOM 612 CD PRO A 444 -11.500 -12.721 -2.776 1.00 0.00 C ATOM 0 HA PRO A 444 -9.655 -12.876 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -12.162 -14.006 -5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -10.931 -14.774 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -13.271 -13.101 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -12.593 -14.528 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -12.111 -11.974 -2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -11.002 -13.305 -2.002 1.00 0.00 H new ATOM 620 N VAL A 445 -11.469 -11.986 -7.267 1.00 0.00 N ATOM 621 CA VAL A 445 -12.098 -11.041 -8.236 1.00 0.00 C ATOM 622 C VAL A 445 -13.259 -11.747 -8.949 1.00 0.00 C ATOM 623 O VAL A 445 -13.353 -11.732 -10.160 1.00 0.00 O ATOM 624 CB VAL A 445 -10.995 -10.673 -9.235 1.00 0.00 C ATOM 625 CG1 VAL A 445 -11.537 -9.660 -10.255 1.00 0.00 C ATOM 626 CG2 VAL A 445 -9.805 -10.059 -8.488 1.00 0.00 C ATOM 0 H VAL A 445 -11.218 -12.896 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.499 -10.152 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 445 -10.670 -11.573 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -10.750 -9.401 -10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -12.378 -10.099 -10.791 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -11.867 -8.761 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -9.023 -9.799 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -10.130 -9.161 -7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -9.415 -10.780 -7.769 1.00 0.00 H new ATOM 636 N ARG A 446 -14.149 -12.366 -8.199 1.00 0.00 N ATOM 637 CA ARG A 446 -15.322 -13.083 -8.823 1.00 0.00 C ATOM 638 C ARG A 446 -16.195 -13.763 -7.748 1.00 0.00 C ATOM 639 O ARG A 446 -17.408 -13.699 -7.814 1.00 0.00 O ATOM 640 CB ARG A 446 -14.753 -14.142 -9.794 1.00 0.00 C ATOM 641 CG ARG A 446 -13.675 -14.993 -9.108 1.00 0.00 C ATOM 642 CD ARG A 446 -12.894 -15.790 -10.164 1.00 0.00 C ATOM 643 NE ARG A 446 -13.243 -17.222 -9.911 1.00 0.00 N ATOM 644 CZ ARG A 446 -12.784 -17.864 -8.848 1.00 0.00 C ATOM 645 NH1 ARG A 446 -12.005 -17.271 -7.973 1.00 0.00 N ATOM 646 NH2 ARG A 446 -13.111 -19.117 -8.660 1.00 0.00 N ATOM 0 H ARG A 446 -14.115 -12.407 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 446 -15.956 -12.370 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -15.558 -14.785 -10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -14.330 -13.649 -10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -12.995 -14.352 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -14.136 -15.674 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -13.176 -15.488 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -11.821 -15.623 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 446 -13.846 -17.714 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -11.741 -16.295 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -11.664 -17.787 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -13.716 -19.592 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -12.761 -19.618 -7.843 1.00 0.00 H new ATOM 660 N ASN A 447 -15.601 -14.408 -6.758 1.00 0.00 N ATOM 661 CA ASN A 447 -16.435 -15.067 -5.700 1.00 0.00 C ATOM 662 C ASN A 447 -16.519 -14.163 -4.462 1.00 0.00 C ATOM 663 O ASN A 447 -15.721 -14.277 -3.551 1.00 0.00 O ATOM 664 CB ASN A 447 -15.724 -16.384 -5.360 1.00 0.00 C ATOM 665 CG ASN A 447 -16.257 -17.502 -6.264 1.00 0.00 C ATOM 666 OD1 ASN A 447 -15.498 -18.132 -6.975 1.00 0.00 O ATOM 667 ND2 ASN A 447 -17.538 -17.782 -6.273 1.00 0.00 N ATOM 0 H ASN A 447 -14.592 -14.503 -6.642 1.00 0.00 H new ATOM 0 HA ASN A 447 -17.455 -15.247 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -14.648 -16.274 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -15.889 -16.639 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -17.893 -18.525 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -18.179 -17.257 -5.679 1.00 0.00 H new ATOM 674 N VAL A 448 -17.484 -13.265 -4.417 1.00 0.00 N ATOM 675 CA VAL A 448 -17.613 -12.360 -3.230 1.00 0.00 C ATOM 676 C VAL A 448 -19.082 -12.310 -2.768 1.00 0.00 C ATOM 677 O VAL A 448 -19.571 -11.280 -2.345 1.00 0.00 O ATOM 678 CB VAL A 448 -17.150 -10.982 -3.720 1.00 0.00 C ATOM 679 CG1 VAL A 448 -17.186 -9.985 -2.559 1.00 0.00 C ATOM 680 CG2 VAL A 448 -15.716 -11.075 -4.254 1.00 0.00 C ATOM 0 H VAL A 448 -18.181 -13.124 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 448 -17.021 -12.702 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 448 -17.815 -10.647 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -16.857 -9.007 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -18.204 -9.910 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -16.523 -10.328 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -15.392 -10.094 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -15.053 -11.416 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -15.682 -11.782 -5.083 1.00 0.00 H new ATOM 690 N LEU A 449 -19.797 -13.420 -2.844 1.00 0.00 N ATOM 691 CA LEU A 449 -21.238 -13.434 -2.407 1.00 0.00 C ATOM 692 C LEU A 449 -21.816 -14.852 -2.528 1.00 0.00 C ATOM 693 O LEU A 449 -22.378 -15.389 -1.593 1.00 0.00 O ATOM 694 CB LEU A 449 -21.975 -12.480 -3.359 1.00 0.00 C ATOM 695 CG LEU A 449 -22.954 -11.615 -2.565 1.00 0.00 C ATOM 696 CD1 LEU A 449 -22.242 -10.348 -2.083 1.00 0.00 C ATOM 697 CD2 LEU A 449 -24.133 -11.227 -3.459 1.00 0.00 C ATOM 0 H LEU A 449 -19.444 -14.312 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 449 -21.344 -13.126 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -21.258 -11.848 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -22.511 -13.050 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 449 -23.319 -12.177 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -22.940 -9.731 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -21.402 -10.623 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -21.877 -9.786 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -24.831 -10.610 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -23.768 -10.666 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -24.641 -12.128 -3.803 1.00 0.00 H new ATOM 709 N ASP A 450 -21.670 -15.458 -3.682 1.00 0.00 N ATOM 710 CA ASP A 450 -22.192 -16.845 -3.899 1.00 0.00 C ATOM 711 C ASP A 450 -23.679 -16.942 -3.511 1.00 0.00 C ATOM 712 O ASP A 450 -24.110 -17.933 -2.954 1.00 0.00 O ATOM 713 CB ASP A 450 -21.342 -17.745 -2.997 1.00 0.00 C ATOM 714 CG ASP A 450 -21.181 -19.118 -3.652 1.00 0.00 C ATOM 715 OD1 ASP A 450 -20.489 -19.197 -4.654 1.00 0.00 O ATOM 716 OD2 ASP A 450 -21.752 -20.068 -3.141 1.00 0.00 O ATOM 0 H ASP A 450 -21.206 -15.046 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 450 -22.126 -17.138 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -20.364 -17.292 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -21.815 -17.849 -2.020 1.00 0.00 H new ATOM 721 N GLU A 451 -24.464 -15.923 -3.798 1.00 0.00 N ATOM 722 CA GLU A 451 -25.916 -15.974 -3.439 1.00 0.00 C ATOM 723 C GLU A 451 -26.756 -15.261 -4.505 1.00 0.00 C ATOM 724 O GLU A 451 -26.178 -14.805 -5.478 1.00 0.00 O ATOM 725 CB GLU A 451 -26.023 -15.253 -2.089 1.00 0.00 C ATOM 726 CG GLU A 451 -25.503 -13.817 -2.217 1.00 0.00 C ATOM 727 CD GLU A 451 -25.633 -13.104 -0.869 1.00 0.00 C ATOM 728 OE1 GLU A 451 -26.704 -12.587 -0.597 1.00 0.00 O ATOM 729 OE2 GLU A 451 -24.660 -13.089 -0.134 1.00 0.00 O ATOM 730 OXT GLU A 451 -27.960 -15.184 -4.328 1.00 0.00 O ATOM 0 H GLU A 451 -24.161 -15.067 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 451 -26.288 -16.997 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -27.060 -15.244 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -25.449 -15.790 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -24.461 -13.824 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -26.068 -13.281 -2.980 1.00 0.00 H new