USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 438 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 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 434 CYS SG : rot -56:sc= 0.944 USER MOD Set 2.2: A 436 THR OG1 : rot 170:sc= 2.21 USER MOD Set 2.3: A 439 CYS SG : rot 172:sc= -3.69! USER MOD Set 2.4: A 463 HIS : no HD1:sc= -0.793 X(o=-4.5,f=-4.6) USER MOD Set 2.5: A 465 HIS : no HE2:sc= -3.14! C(o=-4.5!,f=-5.7!) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 158:sc= -0.182 (180deg=-0.552) USER MOD Single : A 417 TYR OH : rot -177:sc= -1 USER MOD Single : A 419 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.01) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.5) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= -0.309 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ -156:sc= -1.29 (180deg=-2.42!) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.048) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0678) USER MOD Single : A 464 ASN : amide:sc= 0 X(o=0,f=0.0031) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.660 10.875 9.112 1.00 0.00 N ATOM 186 CA TYR A 412 -0.469 10.928 8.189 1.00 0.00 C ATOM 187 C TYR A 412 -1.646 10.122 8.725 1.00 0.00 C ATOM 188 O TYR A 412 -1.464 9.067 9.333 1.00 0.00 O ATOM 189 CB TYR A 412 -0.056 10.400 6.813 1.00 0.00 C ATOM 190 CG TYR A 412 1.113 11.140 6.206 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.040 12.503 5.948 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.291 10.475 5.889 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.107 13.183 5.391 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.364 11.148 5.333 1.00 0.00 C ATOM 195 CZ TYR A 412 3.265 12.501 5.087 1.00 0.00 C ATOM 196 OH TYR A 412 4.331 13.174 4.533 1.00 0.00 O ATOM 0 HA TYR A 412 -0.779 11.968 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.199 9.344 6.900 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.908 10.467 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.134 13.041 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.370 9.415 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.033 14.243 5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.273 10.617 5.093 1.00 0.00 H new ATOM 0 HH TYR A 412 5.069 12.548 4.380 1.00 0.00 H new ATOM 206 N ARG A 413 -2.855 10.625 8.498 1.00 0.00 N ATOM 207 CA ARG A 413 -4.062 9.950 8.959 1.00 0.00 C ATOM 208 C ARG A 413 -4.705 9.148 7.833 1.00 0.00 C ATOM 209 O ARG A 413 -5.146 9.710 6.831 1.00 0.00 O ATOM 210 CB ARG A 413 -5.062 10.970 9.509 1.00 0.00 C ATOM 211 CG ARG A 413 -5.570 11.950 8.465 1.00 0.00 C ATOM 212 CD ARG A 413 -6.336 13.097 9.103 1.00 0.00 C ATOM 213 NE ARG A 413 -7.779 12.883 9.061 1.00 0.00 N ATOM 214 CZ ARG A 413 -8.667 13.698 9.627 1.00 0.00 C ATOM 215 NH1 ARG A 413 -8.262 14.781 10.278 1.00 0.00 N ATOM 216 NH2 ARG A 413 -9.963 13.429 9.541 1.00 0.00 N ATOM 0 H ARG A 413 -3.025 11.498 7.998 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.780 9.260 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -5.911 10.438 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -4.591 11.527 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.729 12.345 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -6.216 11.428 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.017 13.214 10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -6.092 14.026 8.588 1.00 0.00 H new ATOM 0 HE ARG A 413 -8.128 12.060 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -7.266 14.992 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -8.946 15.402 10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -10.279 12.598 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -10.643 14.053 9.975 1.00 0.00 H new ATOM 230 N TRP A 414 -4.758 7.832 8.005 1.00 0.00 N ATOM 231 CA TRP A 414 -5.348 6.951 7.005 1.00 0.00 C ATOM 232 C TRP A 414 -6.657 6.355 7.515 1.00 0.00 C ATOM 233 O TRP A 414 -6.852 6.201 8.720 1.00 0.00 O ATOM 234 CB TRP A 414 -4.374 5.832 6.638 1.00 0.00 C ATOM 235 CG TRP A 414 -3.015 6.329 6.246 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.998 6.681 7.085 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.526 6.530 4.915 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.907 7.088 6.358 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.206 7.005 5.023 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.077 6.353 3.642 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.429 7.306 3.908 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.304 6.654 2.535 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.992 7.123 2.674 1.00 0.00 C ATOM 0 H TRP A 414 -4.399 7.351 8.830 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.559 7.543 6.114 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.274 5.155 7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.792 5.252 5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.045 6.645 8.163 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.018 7.401 6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.087 5.988 3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.582 7.671 4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.720 6.525 1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.413 7.345 1.790 1.00 0.00 H new ATOM 254 N ARG A 415 -7.549 6.020 6.589 1.00 0.00 N ATOM 255 CA ARG A 415 -8.838 5.439 6.947 1.00 0.00 C ATOM 256 C ARG A 415 -9.190 4.282 6.017 1.00 0.00 C ATOM 257 O ARG A 415 -9.013 4.373 4.801 1.00 0.00 O ATOM 258 CB ARG A 415 -9.934 6.509 6.893 1.00 0.00 C ATOM 259 CG ARG A 415 -10.430 6.938 8.265 1.00 0.00 C ATOM 260 CD ARG A 415 -11.766 6.294 8.602 1.00 0.00 C ATOM 261 NE ARG A 415 -11.643 4.850 8.795 1.00 0.00 N ATOM 262 CZ ARG A 415 -12.681 4.039 8.988 1.00 0.00 C ATOM 263 NH1 ARG A 415 -13.916 4.523 9.014 1.00 0.00 N ATOM 264 NH2 ARG A 415 -12.481 2.737 9.155 1.00 0.00 N ATOM 0 H ARG A 415 -7.404 6.140 5.587 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.767 5.053 7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.553 7.382 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.775 6.128 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -9.693 6.666 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.531 8.023 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -12.170 6.748 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.477 6.494 7.801 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.709 4.441 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -14.075 5.522 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -14.707 3.896 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -11.533 2.360 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -13.275 2.114 9.303 1.00 0.00 H new ATOM 278 N LYS A 416 -9.690 3.196 6.596 1.00 0.00 N ATOM 279 CA LYS A 416 -10.069 2.021 5.820 1.00 0.00 C ATOM 280 C LYS A 416 -11.421 2.226 5.149 1.00 0.00 C ATOM 281 O LYS A 416 -12.302 2.889 5.695 1.00 0.00 O ATOM 282 CB LYS A 416 -10.114 0.784 6.719 1.00 0.00 C ATOM 283 CG LYS A 416 -9.712 -0.499 6.009 1.00 0.00 C ATOM 284 CD LYS A 416 -9.497 -1.637 6.995 1.00 0.00 C ATOM 285 CE LYS A 416 -10.818 -2.204 7.488 1.00 0.00 C ATOM 286 NZ LYS A 416 -11.187 -3.456 6.770 1.00 0.00 N ATOM 0 H LYS A 416 -9.842 3.105 7.600 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.318 1.870 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.453 0.940 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.123 0.669 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.485 -0.778 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.797 -0.331 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.916 -2.427 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -8.914 -1.279 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -10.750 -2.405 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -11.605 -1.462 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -11.855 -4.004 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -11.632 -3.217 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -10.332 -4.023 6.598 1.00 0.00 H new ATOM 300 N TYR A 417 -11.581 1.653 3.960 1.00 0.00 N ATOM 301 CA TYR A 417 -12.828 1.775 3.215 1.00 0.00 C ATOM 302 C TYR A 417 -13.311 0.411 2.733 1.00 0.00 C ATOM 303 O TYR A 417 -14.488 0.076 2.868 1.00 0.00 O ATOM 304 CB TYR A 417 -12.643 2.714 2.021 1.00 0.00 C ATOM 305 CG TYR A 417 -11.513 2.309 1.100 1.00 0.00 C ATOM 306 CD1 TYR A 417 -11.733 1.431 0.045 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.228 2.800 1.287 1.00 0.00 C ATOM 308 CE1 TYR A 417 -10.704 1.058 -0.799 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.194 2.433 0.448 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.436 1.562 -0.593 1.00 0.00 C ATOM 311 OH TYR A 417 -8.409 1.192 -1.431 1.00 0.00 O ATOM 0 H TYR A 417 -10.863 1.100 3.493 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.582 2.191 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.571 2.749 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.457 3.723 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -12.724 1.034 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.033 3.481 2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -10.891 0.376 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.201 2.826 0.607 1.00 0.00 H new ATOM 0 HH TYR A 417 -7.572 1.597 -1.122 1.00 0.00 H new ATOM 321 N GLY A 418 -12.396 -0.372 2.172 1.00 0.00 N ATOM 322 CA GLY A 418 -12.749 -1.690 1.680 1.00 0.00 C ATOM 323 C GLY A 418 -11.678 -2.723 1.965 1.00 0.00 C ATOM 324 O GLY A 418 -10.496 -2.392 2.059 1.00 0.00 O ATOM 0 H GLY A 418 -11.416 -0.117 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.686 -2.007 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.922 -1.638 0.605 1.00 0.00 H new ATOM 328 N GLN A 419 -12.090 -3.979 2.102 1.00 0.00 N ATOM 329 CA GLN A 419 -11.158 -5.065 2.378 1.00 0.00 C ATOM 330 C GLN A 419 -11.449 -6.271 1.489 1.00 0.00 C ATOM 331 O GLN A 419 -12.593 -6.511 1.108 1.00 0.00 O ATOM 332 CB GLN A 419 -11.238 -5.474 3.851 1.00 0.00 C ATOM 333 CG GLN A 419 -12.619 -5.942 4.278 1.00 0.00 C ATOM 334 CD GLN A 419 -12.601 -7.323 4.905 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.393 -8.193 4.543 1.00 0.00 O ATOM 336 NE2 GLN A 419 -11.693 -7.530 5.852 1.00 0.00 N ATOM 0 H GLN A 419 -13.065 -4.270 2.026 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.151 -4.709 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.519 -6.272 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.942 -4.628 4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.036 -5.230 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.280 -5.950 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -11.056 -6.780 6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -11.632 -8.439 6.311 1.00 0.00 H new ATOM 345 N LYS A 420 -10.402 -7.023 1.159 1.00 0.00 N ATOM 346 CA LYS A 420 -10.546 -8.202 0.315 1.00 0.00 C ATOM 347 C LYS A 420 -10.168 -9.469 1.076 1.00 0.00 C ATOM 348 O LYS A 420 -9.199 -9.483 1.835 1.00 0.00 O ATOM 349 CB LYS A 420 -9.675 -8.068 -0.936 1.00 0.00 C ATOM 350 CG LYS A 420 -10.362 -7.343 -2.081 1.00 0.00 C ATOM 351 CD LYS A 420 -10.976 -8.319 -3.072 1.00 0.00 C ATOM 352 CE LYS A 420 -10.065 -8.548 -4.267 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.812 -9.070 -5.444 1.00 0.00 N ATOM 0 H LYS A 420 -9.447 -6.836 1.464 1.00 0.00 H new ATOM 0 HA LYS A 420 -11.592 -8.278 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -8.760 -7.535 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.380 -9.062 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.139 -6.689 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -9.641 -6.707 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -11.171 -9.269 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -11.937 -7.935 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.575 -7.612 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.279 -9.252 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -10.155 -9.212 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.259 -9.976 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.545 -8.386 -5.721 1.00 0.00 H new ATOM 367 N VAL A 421 -10.943 -10.530 0.871 1.00 0.00 N ATOM 368 CA VAL A 421 -10.689 -11.801 1.539 1.00 0.00 C ATOM 369 C VAL A 421 -10.065 -12.810 0.581 1.00 0.00 C ATOM 370 O VAL A 421 -10.410 -12.856 -0.600 1.00 0.00 O ATOM 371 CB VAL A 421 -11.985 -12.395 2.127 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.992 -12.691 1.025 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.681 -13.649 2.933 1.00 0.00 C ATOM 0 H VAL A 421 -11.751 -10.534 0.248 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.991 -11.599 2.352 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.426 -11.657 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.898 -13.109 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.236 -11.769 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.564 -13.407 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.608 -14.054 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.213 -14.392 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -11.004 -13.401 3.750 1.00 0.00 H new ATOM 383 N VAL A 422 -9.144 -13.618 1.097 1.00 0.00 N ATOM 384 CA VAL A 422 -8.472 -14.626 0.286 1.00 0.00 C ATOM 385 C VAL A 422 -8.720 -16.027 0.835 1.00 0.00 C ATOM 386 O VAL A 422 -8.232 -16.380 1.909 1.00 0.00 O ATOM 387 CB VAL A 422 -6.953 -14.375 0.223 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.299 -15.308 -0.785 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.665 -12.921 -0.120 1.00 0.00 C ATOM 0 H VAL A 422 -8.847 -13.594 2.072 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.888 -14.552 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.528 -14.583 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.226 -15.116 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.474 -16.343 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.727 -15.135 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.587 -12.763 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.103 -12.682 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.098 -12.274 0.643 1.00 0.00 H new ATOM 399 N LYS A 423 -9.483 -16.822 0.091 1.00 0.00 N ATOM 400 CA LYS A 423 -9.797 -18.185 0.503 1.00 0.00 C ATOM 401 C LYS A 423 -8.543 -19.054 0.507 1.00 0.00 C ATOM 402 O LYS A 423 -8.309 -19.829 -0.420 1.00 0.00 O ATOM 403 CB LYS A 423 -10.849 -18.792 -0.427 1.00 0.00 C ATOM 404 CG LYS A 423 -12.272 -18.389 -0.080 1.00 0.00 C ATOM 405 CD LYS A 423 -12.753 -19.073 1.190 1.00 0.00 C ATOM 406 CE LYS A 423 -12.876 -20.577 0.999 1.00 0.00 C ATOM 407 NZ LYS A 423 -13.826 -21.183 1.971 1.00 0.00 N ATOM 0 H LYS A 423 -9.895 -16.545 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.196 -18.149 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.634 -18.489 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -10.769 -19.879 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.324 -17.308 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -12.935 -18.646 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.058 -18.864 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -13.719 -18.662 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -13.211 -20.788 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -11.895 -21.039 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.882 -22.209 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.493 -21.004 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -14.768 -20.761 1.845 1.00 0.00 H new ATOM 421 N GLY A 424 -7.740 -18.919 1.558 1.00 0.00 N ATOM 422 CA GLY A 424 -6.521 -19.699 1.663 1.00 0.00 C ATOM 423 C GLY A 424 -5.501 -19.058 2.585 1.00 0.00 C ATOM 424 O GLY A 424 -4.717 -19.754 3.231 1.00 0.00 O ATOM 0 H GLY A 424 -7.912 -18.284 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.762 -20.697 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.084 -19.821 0.672 1.00 0.00 H new ATOM 428 N ASN A 425 -5.512 -17.730 2.646 1.00 0.00 N ATOM 429 CA ASN A 425 -4.580 -16.998 3.496 1.00 0.00 C ATOM 430 C ASN A 425 -5.247 -16.592 4.810 1.00 0.00 C ATOM 431 O ASN A 425 -6.410 -16.190 4.825 1.00 0.00 O ATOM 432 CB ASN A 425 -4.064 -15.755 2.767 1.00 0.00 C ATOM 433 CG ASN A 425 -3.361 -16.096 1.469 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.943 -17.234 1.256 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.228 -15.108 0.590 1.00 0.00 N ATOM 0 H ASN A 425 -6.155 -17.140 2.118 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.739 -17.654 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.899 -15.086 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.377 -15.215 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.764 -15.278 -0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.590 -14.179 0.808 1.00 0.00 H new ATOM 442 N PRO A 426 -4.516 -16.692 5.935 1.00 0.00 N ATOM 443 CA PRO A 426 -5.047 -16.332 7.253 1.00 0.00 C ATOM 444 C PRO A 426 -5.130 -14.822 7.452 1.00 0.00 C ATOM 445 O PRO A 426 -5.970 -14.331 8.207 1.00 0.00 O ATOM 446 CB PRO A 426 -4.029 -16.942 8.215 1.00 0.00 C ATOM 447 CG PRO A 426 -2.749 -16.943 7.456 1.00 0.00 C ATOM 448 CD PRO A 426 -3.118 -17.161 6.013 1.00 0.00 C ATOM 0 HA PRO A 426 -6.065 -16.693 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.947 -16.355 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.317 -17.952 8.509 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.219 -15.999 7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.086 -17.731 7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.468 -16.597 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.031 -18.210 5.732 1.00 0.00 H new ATOM 456 N TYR A 427 -4.254 -14.091 6.770 1.00 0.00 N ATOM 457 CA TYR A 427 -4.227 -12.637 6.873 1.00 0.00 C ATOM 458 C TYR A 427 -5.040 -11.995 5.749 1.00 0.00 C ATOM 459 O TYR A 427 -4.614 -11.991 4.594 1.00 0.00 O ATOM 460 CB TYR A 427 -2.785 -12.131 6.827 1.00 0.00 C ATOM 461 CG TYR A 427 -1.844 -12.896 7.730 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.103 -13.016 9.090 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.700 -13.499 7.223 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.245 -13.715 9.919 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.162 -14.200 8.047 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.115 -14.303 9.393 1.00 0.00 C ATOM 467 OH TYR A 427 0.739 -15.000 10.216 1.00 0.00 O ATOM 0 H TYR A 427 -3.554 -14.482 6.140 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.675 -12.356 7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.420 -12.192 5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.769 -11.078 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.988 -12.556 9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.480 -13.419 6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.459 -13.800 10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.047 -14.664 7.638 1.00 0.00 H new ATOM 0 HH TYR A 427 1.486 -15.353 9.689 1.00 0.00 H new ATOM 477 N PRO A 428 -6.223 -11.441 6.069 1.00 0.00 N ATOM 478 CA PRO A 428 -7.085 -10.797 5.072 1.00 0.00 C ATOM 479 C PRO A 428 -6.484 -9.500 4.541 1.00 0.00 C ATOM 480 O PRO A 428 -5.711 -8.835 5.231 1.00 0.00 O ATOM 481 CB PRO A 428 -8.377 -10.511 5.844 1.00 0.00 C ATOM 482 CG PRO A 428 -7.956 -10.429 7.270 1.00 0.00 C ATOM 483 CD PRO A 428 -6.815 -11.397 7.420 1.00 0.00 C ATOM 0 HA PRO A 428 -7.231 -11.426 4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.838 -9.580 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.112 -11.302 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -7.645 -9.416 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.779 -10.689 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.094 -11.056 8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.161 -12.380 7.739 1.00 0.00 H new ATOM 491 N ARG A 429 -6.842 -9.148 3.311 1.00 0.00 N ATOM 492 CA ARG A 429 -6.337 -7.930 2.686 1.00 0.00 C ATOM 493 C ARG A 429 -7.085 -6.704 3.197 1.00 0.00 C ATOM 494 O ARG A 429 -8.277 -6.772 3.498 1.00 0.00 O ATOM 495 CB ARG A 429 -6.464 -8.022 1.164 1.00 0.00 C ATOM 496 CG ARG A 429 -5.387 -8.876 0.516 1.00 0.00 C ATOM 497 CD ARG A 429 -5.673 -9.107 -0.960 1.00 0.00 C ATOM 498 NE ARG A 429 -6.865 -9.925 -1.164 1.00 0.00 N ATOM 499 CZ ARG A 429 -7.309 -10.303 -2.362 1.00 0.00 C ATOM 500 NH1 ARG A 429 -6.661 -9.940 -3.461 1.00 0.00 N ATOM 501 NH2 ARG A 429 -8.401 -11.048 -2.458 1.00 0.00 N ATOM 0 H ARG A 429 -7.480 -9.688 2.727 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.285 -7.826 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.442 -8.433 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.423 -7.018 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.418 -8.389 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.323 -9.835 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -5.802 -8.147 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -4.815 -9.594 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 429 -7.388 -10.225 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -5.819 -9.369 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -7.005 -10.232 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -8.901 -11.331 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -8.742 -11.338 -3.375 1.00 0.00 H new ATOM 515 N SER A 430 -6.377 -5.582 3.292 1.00 0.00 N ATOM 516 CA SER A 430 -6.972 -4.338 3.764 1.00 0.00 C ATOM 517 C SER A 430 -6.461 -3.151 2.956 1.00 0.00 C ATOM 518 O SER A 430 -5.293 -3.108 2.570 1.00 0.00 O ATOM 519 CB SER A 430 -6.664 -4.132 5.249 1.00 0.00 C ATOM 520 OG SER A 430 -6.639 -5.367 5.942 1.00 0.00 O ATOM 0 H SER A 430 -5.389 -5.510 3.048 1.00 0.00 H new ATOM 0 HA SER A 430 -8.052 -4.406 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.702 -3.631 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.415 -3.478 5.692 1.00 0.00 H new ATOM 0 HG SER A 430 -6.439 -5.207 6.888 1.00 0.00 H new ATOM 526 N TYR A 431 -7.342 -2.189 2.700 1.00 0.00 N ATOM 527 CA TYR A 431 -6.976 -1.002 1.936 1.00 0.00 C ATOM 528 C TYR A 431 -7.253 0.268 2.734 1.00 0.00 C ATOM 529 O TYR A 431 -8.286 0.388 3.393 1.00 0.00 O ATOM 530 CB TYR A 431 -7.747 -0.964 0.615 1.00 0.00 C ATOM 531 CG TYR A 431 -7.668 -2.256 -0.170 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.453 -2.721 -0.657 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.808 -3.008 -0.421 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.377 -3.900 -1.375 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.740 -4.189 -1.137 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.523 -4.629 -1.612 1.00 0.00 C ATOM 537 OH TYR A 431 -7.451 -5.805 -2.324 1.00 0.00 O ATOM 0 H TYR A 431 -8.313 -2.208 3.010 1.00 0.00 H new ATOM 0 HA TYR A 431 -5.907 -1.052 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -8.793 -0.737 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.359 -0.151 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.554 -2.153 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.763 -2.665 -0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.425 -4.248 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.635 -4.764 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.576 -6.222 -2.180 1.00 0.00 H new ATOM 547 N TYR A 432 -6.324 1.216 2.667 1.00 0.00 N ATOM 548 CA TYR A 432 -6.463 2.480 3.380 1.00 0.00 C ATOM 549 C TYR A 432 -6.230 3.660 2.442 1.00 0.00 C ATOM 550 O TYR A 432 -5.850 3.479 1.286 1.00 0.00 O ATOM 551 CB TYR A 432 -5.483 2.540 4.551 1.00 0.00 C ATOM 552 CG TYR A 432 -5.468 1.284 5.394 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.395 1.095 6.411 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.526 0.287 5.172 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.385 -0.050 7.183 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.510 -0.863 5.939 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.442 -1.026 6.942 1.00 0.00 C ATOM 558 OH TYR A 432 -5.427 -2.169 7.709 1.00 0.00 O ATOM 0 H TYR A 432 -5.464 1.132 2.124 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.480 2.542 3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.480 2.720 4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.738 3.389 5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -7.137 1.857 6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -3.794 0.413 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -7.112 -0.180 7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -3.772 -1.629 5.754 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.701 -2.755 7.409 1.00 0.00 H new ATOM 568 N LYS A 433 -6.460 4.868 2.947 1.00 0.00 N ATOM 569 CA LYS A 433 -6.273 6.073 2.148 1.00 0.00 C ATOM 570 C LYS A 433 -6.161 7.309 3.036 1.00 0.00 C ATOM 571 O LYS A 433 -6.982 7.522 3.927 1.00 0.00 O ATOM 572 CB LYS A 433 -7.435 6.241 1.167 1.00 0.00 C ATOM 573 CG LYS A 433 -8.783 6.416 1.845 1.00 0.00 C ATOM 574 CD LYS A 433 -9.902 6.574 0.829 1.00 0.00 C ATOM 575 CE LYS A 433 -10.181 8.037 0.530 1.00 0.00 C ATOM 576 NZ LYS A 433 -9.409 8.521 -0.648 1.00 0.00 N ATOM 0 H LYS A 433 -6.775 5.038 3.902 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.343 5.967 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.242 7.106 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.477 5.370 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -8.986 5.554 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.754 7.291 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.633 6.058 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.808 6.100 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.247 8.173 0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -9.928 8.640 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -9.293 9.553 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -8.473 8.068 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -9.921 8.281 -1.521 1.00 0.00 H new ATOM 590 N CYS A 434 -5.139 8.122 2.782 1.00 0.00 N ATOM 591 CA CYS A 434 -4.921 9.339 3.556 1.00 0.00 C ATOM 592 C CYS A 434 -6.061 10.328 3.336 1.00 0.00 C ATOM 593 O CYS A 434 -6.105 11.025 2.320 1.00 0.00 O ATOM 594 CB CYS A 434 -3.588 9.982 3.166 1.00 0.00 C ATOM 595 SG CYS A 434 -2.960 11.172 4.374 1.00 0.00 S ATOM 0 H CYS A 434 -4.450 7.960 2.047 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.891 9.073 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.845 9.197 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.706 10.484 2.206 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.856 12.090 4.585 1.00 0.00 H new ATOM 600 N THR A 435 -6.984 10.380 4.291 1.00 0.00 N ATOM 601 CA THR A 435 -8.129 11.279 4.201 1.00 0.00 C ATOM 602 C THR A 435 -7.883 12.574 4.971 1.00 0.00 C ATOM 603 O THR A 435 -8.542 12.850 5.975 1.00 0.00 O ATOM 604 CB THR A 435 -9.414 10.610 4.729 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.530 11.492 4.560 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.275 10.238 6.199 1.00 0.00 C ATOM 0 H THR A 435 -6.961 9.810 5.136 1.00 0.00 H new ATOM 0 HA THR A 435 -8.260 11.514 3.145 1.00 0.00 H new ATOM 0 HB THR A 435 -9.579 9.697 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 435 -11.343 11.060 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.196 9.768 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.445 9.542 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 435 -9.084 11.137 6.785 1.00 0.00 H new ATOM 614 N THR A 436 -6.934 13.370 4.491 1.00 0.00 N ATOM 615 CA THR A 436 -6.605 14.639 5.130 1.00 0.00 C ATOM 616 C THR A 436 -7.261 15.804 4.392 1.00 0.00 C ATOM 617 O THR A 436 -7.520 15.719 3.192 1.00 0.00 O ATOM 618 CB THR A 436 -5.079 14.863 5.187 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.394 13.661 4.818 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.642 15.292 6.580 1.00 0.00 C ATOM 0 H THR A 436 -6.379 13.159 3.662 1.00 0.00 H new ATOM 0 HA THR A 436 -6.989 14.595 6.149 1.00 0.00 H new ATOM 0 HB THR A 436 -4.827 15.658 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.441 13.852 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.563 15.443 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.142 16.223 6.847 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.908 14.518 7.299 1.00 0.00 H new ATOM 628 N PRO A 437 -7.538 16.914 5.099 1.00 0.00 N ATOM 629 CA PRO A 437 -8.165 18.096 4.498 1.00 0.00 C ATOM 630 C PRO A 437 -7.471 18.532 3.213 1.00 0.00 C ATOM 631 O PRO A 437 -6.427 19.184 3.250 1.00 0.00 O ATOM 632 CB PRO A 437 -8.013 19.164 5.581 1.00 0.00 C ATOM 633 CG PRO A 437 -7.958 18.401 6.858 1.00 0.00 C ATOM 634 CD PRO A 437 -7.261 17.106 6.536 1.00 0.00 C ATOM 0 HA PRO A 437 -9.199 17.908 4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.108 19.753 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.852 19.860 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -7.415 18.957 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.960 18.219 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -6.191 17.166 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.650 16.281 7.133 1.00 0.00 H new ATOM 642 N GLY A 438 -8.056 18.165 2.078 1.00 0.00 N ATOM 643 CA GLY A 438 -7.478 18.523 0.796 1.00 0.00 C ATOM 644 C GLY A 438 -6.635 17.407 0.208 1.00 0.00 C ATOM 645 O GLY A 438 -6.432 17.348 -1.005 1.00 0.00 O ATOM 0 H GLY A 438 -8.920 17.626 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.277 18.777 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.863 19.415 0.915 1.00 0.00 H new ATOM 649 N CYS A 439 -6.143 16.523 1.069 1.00 0.00 N ATOM 650 CA CYS A 439 -5.317 15.404 0.629 1.00 0.00 C ATOM 651 C CYS A 439 -6.154 14.138 0.471 1.00 0.00 C ATOM 652 O CYS A 439 -6.843 13.717 1.400 1.00 0.00 O ATOM 653 CB CYS A 439 -4.182 15.164 1.628 1.00 0.00 C ATOM 654 SG CYS A 439 -3.125 13.751 1.231 1.00 0.00 S ATOM 0 H CYS A 439 -6.302 16.559 2.076 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.891 15.655 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.565 16.061 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.612 15.014 2.619 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.102 13.735 2.033 1.00 0.00 H new ATOM 659 N GLY A 440 -6.089 13.537 -0.711 1.00 0.00 N ATOM 660 CA GLY A 440 -6.844 12.324 -0.972 1.00 0.00 C ATOM 661 C GLY A 440 -5.982 11.216 -1.543 1.00 0.00 C ATOM 662 O GLY A 440 -6.194 10.774 -2.671 1.00 0.00 O ATOM 0 H GLY A 440 -5.526 13.868 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.305 11.981 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.653 12.546 -1.668 1.00 0.00 H new ATOM 666 N VAL A 441 -5.005 10.767 -0.761 1.00 0.00 N ATOM 667 CA VAL A 441 -4.105 9.705 -1.196 1.00 0.00 C ATOM 668 C VAL A 441 -4.658 8.333 -0.824 1.00 0.00 C ATOM 669 O VAL A 441 -5.322 8.177 0.202 1.00 0.00 O ATOM 670 CB VAL A 441 -2.701 9.867 -0.580 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.739 8.841 -1.159 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.181 11.280 -0.802 1.00 0.00 C ATOM 0 H VAL A 441 -4.817 11.122 0.177 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.026 9.781 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.775 9.694 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.754 8.972 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.105 7.837 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.668 8.977 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.189 11.376 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.124 11.483 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.858 11.995 -0.333 1.00 0.00 H new ATOM 682 N ARG A 442 -4.377 7.339 -1.662 1.00 0.00 N ATOM 683 CA ARG A 442 -4.845 5.979 -1.421 1.00 0.00 C ATOM 684 C ARG A 442 -3.685 4.990 -1.455 1.00 0.00 C ATOM 685 O ARG A 442 -2.771 5.118 -2.268 1.00 0.00 O ATOM 686 CB ARG A 442 -5.897 5.587 -2.461 1.00 0.00 C ATOM 687 CG ARG A 442 -7.003 6.618 -2.623 1.00 0.00 C ATOM 688 CD ARG A 442 -8.381 5.972 -2.619 1.00 0.00 C ATOM 689 NE ARG A 442 -8.990 5.969 -3.948 1.00 0.00 N ATOM 690 CZ ARG A 442 -8.703 5.080 -4.894 1.00 0.00 C ATOM 691 NH1 ARG A 442 -7.816 4.118 -4.667 1.00 0.00 N ATOM 692 NH2 ARG A 442 -9.305 5.151 -6.075 1.00 0.00 N ATOM 0 H ARG A 442 -3.827 7.451 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.296 5.947 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.407 5.437 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.340 4.632 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -6.941 7.348 -1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.859 7.162 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.300 4.948 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.029 6.506 -1.925 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.676 6.692 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -7.350 4.058 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -7.601 3.440 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.987 5.887 -6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -9.085 4.469 -6.801 1.00 0.00 H new ATOM 706 N LYS A 443 -3.728 4.004 -0.565 1.00 0.00 N ATOM 707 CA LYS A 443 -2.681 2.992 -0.493 1.00 0.00 C ATOM 708 C LYS A 443 -3.279 1.600 -0.308 1.00 0.00 C ATOM 709 O LYS A 443 -4.310 1.439 0.345 1.00 0.00 O ATOM 710 CB LYS A 443 -1.722 3.304 0.657 1.00 0.00 C ATOM 711 CG LYS A 443 -2.380 3.259 2.027 1.00 0.00 C ATOM 712 CD LYS A 443 -1.355 3.377 3.142 1.00 0.00 C ATOM 713 CE LYS A 443 -1.968 3.061 4.497 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.001 3.280 5.609 1.00 0.00 N ATOM 0 H LYS A 443 -4.477 3.884 0.117 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.130 3.008 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.898 2.591 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.292 4.293 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.105 4.069 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.932 2.325 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.526 2.697 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.943 4.386 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.847 3.686 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.307 2.025 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.457 3.054 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.173 2.665 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.697 4.274 5.614 1.00 0.00 H new ATOM 728 N HIS A 444 -2.623 0.599 -0.887 1.00 0.00 N ATOM 729 CA HIS A 444 -3.088 -0.780 -0.785 1.00 0.00 C ATOM 730 C HIS A 444 -2.167 -1.600 0.112 1.00 0.00 C ATOM 731 O HIS A 444 -0.944 -1.532 -0.010 1.00 0.00 O ATOM 732 CB HIS A 444 -3.168 -1.416 -2.173 1.00 0.00 C ATOM 733 CG HIS A 444 -3.843 -0.550 -3.192 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.669 -0.710 -4.550 1.00 0.00 N ATOM 735 CD2 HIS A 444 -4.696 0.492 -3.043 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.385 0.195 -5.194 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.018 0.936 -4.302 1.00 0.00 N ATOM 0 H HIS A 444 -1.768 0.717 -1.431 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.083 -0.770 -0.340 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.160 -1.647 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.705 -2.362 -2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -5.055 0.898 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.443 0.309 -6.266 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -5.645 1.712 -4.514 1.00 0.00 H new ATOM 746 N VAL A 445 -2.762 -2.375 1.012 1.00 0.00 N ATOM 747 CA VAL A 445 -1.995 -3.211 1.929 1.00 0.00 C ATOM 748 C VAL A 445 -2.423 -4.670 1.831 1.00 0.00 C ATOM 749 O VAL A 445 -3.550 -5.023 2.179 1.00 0.00 O ATOM 750 CB VAL A 445 -2.156 -2.737 3.387 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.199 -3.488 4.301 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.934 -1.235 3.488 1.00 0.00 C ATOM 0 H VAL A 445 -3.773 -2.442 1.126 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.948 -3.123 1.638 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.175 -2.952 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.327 -3.140 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.411 -4.556 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.173 -3.306 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.052 -0.919 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.928 -0.992 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.663 -0.717 2.865 1.00 0.00 H new ATOM 762 N GLU A 446 -1.515 -5.517 1.356 1.00 0.00 N ATOM 763 CA GLU A 446 -1.799 -6.940 1.212 1.00 0.00 C ATOM 764 C GLU A 446 -0.643 -7.782 1.744 1.00 0.00 C ATOM 765 O GLU A 446 0.509 -7.587 1.357 1.00 0.00 O ATOM 766 CB GLU A 446 -2.062 -7.283 -0.256 1.00 0.00 C ATOM 767 CG GLU A 446 -3.227 -6.517 -0.859 1.00 0.00 C ATOM 768 CD GLU A 446 -2.798 -5.209 -1.496 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.179 -5.250 -2.581 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.081 -4.143 -0.910 1.00 0.00 O ATOM 0 H GLU A 446 -0.577 -5.242 1.065 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.690 -7.168 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -1.163 -7.076 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -2.257 -8.352 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.717 -7.139 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.964 -6.314 -0.082 1.00 0.00 H new ATOM 777 N ARG A 447 -0.959 -8.717 2.634 1.00 0.00 N ATOM 778 CA ARG A 447 0.052 -9.587 3.220 1.00 0.00 C ATOM 779 C ARG A 447 0.240 -10.847 2.379 1.00 0.00 C ATOM 780 O ARG A 447 -0.715 -11.577 2.116 1.00 0.00 O ATOM 781 CB ARG A 447 -0.338 -9.969 4.650 1.00 0.00 C ATOM 782 CG ARG A 447 0.855 -10.250 5.551 1.00 0.00 C ATOM 783 CD ARG A 447 0.628 -9.726 6.960 1.00 0.00 C ATOM 784 NE ARG A 447 1.769 -8.955 7.448 1.00 0.00 N ATOM 785 CZ ARG A 447 2.912 -9.501 7.856 1.00 0.00 C ATOM 786 NH1 ARG A 447 3.071 -10.818 7.838 1.00 0.00 N ATOM 787 NH2 ARG A 447 3.900 -8.726 8.285 1.00 0.00 N ATOM 0 H ARG A 447 -1.908 -8.891 2.965 1.00 0.00 H new ATOM 0 HA ARG A 447 0.995 -9.041 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.929 -9.163 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.976 -10.852 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.040 -11.324 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.747 -9.787 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.265 -9.101 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.442 -10.563 7.633 1.00 0.00 H new ATOM 0 HE ARG A 447 1.685 -7.939 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 447 2.315 -11.419 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 447 3.950 -11.230 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.783 -7.713 8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 447 4.776 -9.143 8.598 1.00 0.00 H new ATOM 801 N ALA A 448 1.477 -11.094 1.962 1.00 0.00 N ATOM 802 CA ALA A 448 1.792 -12.264 1.152 1.00 0.00 C ATOM 803 C ALA A 448 1.962 -13.504 2.022 1.00 0.00 C ATOM 804 O ALA A 448 3.021 -13.719 2.613 1.00 0.00 O ATOM 805 CB ALA A 448 3.049 -12.015 0.332 1.00 0.00 C ATOM 0 H ALA A 448 2.278 -10.499 2.172 1.00 0.00 H new ATOM 0 HA ALA A 448 0.958 -12.441 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.273 -12.897 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.891 -11.160 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.885 -11.810 1.001 1.00 0.00 H new ATOM 811 N ALA A 449 0.913 -14.316 2.095 1.00 0.00 N ATOM 812 CA ALA A 449 0.944 -15.538 2.892 1.00 0.00 C ATOM 813 C ALA A 449 1.572 -16.687 2.112 1.00 0.00 C ATOM 814 O ALA A 449 2.459 -17.378 2.612 1.00 0.00 O ATOM 815 CB ALA A 449 -0.460 -15.908 3.345 1.00 0.00 C ATOM 0 H ALA A 449 0.030 -14.150 1.612 1.00 0.00 H new ATOM 0 HA ALA A 449 1.560 -15.353 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.422 -16.821 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.872 -15.100 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -1.093 -16.068 2.473 1.00 0.00 H new ATOM 821 N THR A 450 1.105 -16.886 0.883 1.00 0.00 N ATOM 822 CA THR A 450 1.622 -17.952 0.032 1.00 0.00 C ATOM 823 C THR A 450 3.130 -17.822 -0.154 1.00 0.00 C ATOM 824 O THR A 450 3.841 -18.820 -0.270 1.00 0.00 O ATOM 825 CB THR A 450 0.944 -17.947 -1.352 1.00 0.00 C ATOM 826 OG1 THR A 450 1.248 -16.729 -2.042 1.00 0.00 O ATOM 827 CG2 THR A 450 -0.564 -18.093 -1.216 1.00 0.00 C ATOM 0 H THR A 450 0.370 -16.323 0.455 1.00 0.00 H new ATOM 0 HA THR A 450 1.398 -18.893 0.534 1.00 0.00 H new ATOM 0 HB THR A 450 1.326 -18.794 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 450 0.815 -16.734 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 450 -1.021 -18.087 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 450 -0.795 -19.033 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 450 -0.958 -17.263 -0.629 1.00 0.00 H new ATOM 835 N ASP A 451 3.610 -16.583 -0.179 1.00 0.00 N ATOM 836 CA ASP A 451 5.033 -16.317 -0.345 1.00 0.00 C ATOM 837 C ASP A 451 5.777 -16.510 0.975 1.00 0.00 C ATOM 838 O ASP A 451 5.174 -16.452 2.046 1.00 0.00 O ATOM 839 CB ASP A 451 5.245 -14.892 -0.867 1.00 0.00 C ATOM 840 CG ASP A 451 5.882 -14.867 -2.243 1.00 0.00 C ATOM 841 OD1 ASP A 451 5.424 -15.628 -3.122 1.00 0.00 O ATOM 842 OD2 ASP A 451 6.837 -14.088 -2.442 1.00 0.00 O ATOM 0 H ASP A 451 3.033 -15.747 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 451 5.433 -17.025 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 451 4.286 -14.376 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 451 5.876 -14.342 -0.168 1.00 0.00 H new ATOM 847 N PRO A 452 7.100 -16.742 0.916 1.00 0.00 N ATOM 848 CA PRO A 452 7.920 -16.942 2.117 1.00 0.00 C ATOM 849 C PRO A 452 8.024 -15.677 2.963 1.00 0.00 C ATOM 850 O PRO A 452 9.097 -15.088 3.093 1.00 0.00 O ATOM 851 CB PRO A 452 9.292 -17.323 1.553 1.00 0.00 C ATOM 852 CG PRO A 452 9.313 -16.736 0.187 1.00 0.00 C ATOM 853 CD PRO A 452 7.902 -16.826 -0.319 1.00 0.00 C ATOM 0 HA PRO A 452 7.494 -17.695 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.098 -16.924 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.421 -18.405 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 452 9.654 -15.701 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.997 -17.282 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.668 -16.015 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 452 7.724 -17.759 -0.853 1.00 0.00 H new ATOM 861 N LYS A 453 6.898 -15.265 3.534 1.00 0.00 N ATOM 862 CA LYS A 453 6.851 -14.070 4.370 1.00 0.00 C ATOM 863 C LYS A 453 7.188 -12.825 3.557 1.00 0.00 C ATOM 864 O LYS A 453 8.322 -12.343 3.583 1.00 0.00 O ATOM 865 CB LYS A 453 7.818 -14.203 5.550 1.00 0.00 C ATOM 866 CG LYS A 453 7.507 -15.381 6.459 1.00 0.00 C ATOM 867 CD LYS A 453 8.635 -15.633 7.447 1.00 0.00 C ATOM 868 CE LYS A 453 8.867 -14.430 8.347 1.00 0.00 C ATOM 869 NZ LYS A 453 9.563 -14.806 9.609 1.00 0.00 N ATOM 0 H LYS A 453 6.002 -15.742 3.433 1.00 0.00 H new ATOM 0 HA LYS A 453 5.836 -13.968 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.833 -14.308 5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.791 -13.285 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.582 -15.189 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 453 7.343 -16.274 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 453 8.398 -16.505 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 453 9.551 -15.864 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 453 9.459 -13.686 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.910 -13.965 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 9.702 -13.958 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.986 -15.496 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 10.487 -15.227 9.384 1.00 0.00 H new ATOM 883 N ALA A 454 6.198 -12.307 2.838 1.00 0.00 N ATOM 884 CA ALA A 454 6.391 -11.115 2.018 1.00 0.00 C ATOM 885 C ALA A 454 5.339 -10.057 2.335 1.00 0.00 C ATOM 886 O ALA A 454 4.254 -10.371 2.823 1.00 0.00 O ATOM 887 CB ALA A 454 6.350 -11.480 0.542 1.00 0.00 C ATOM 0 H ALA A 454 5.254 -12.693 2.806 1.00 0.00 H new ATOM 0 HA ALA A 454 7.370 -10.696 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.495 -10.582 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.142 -12.196 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.383 -11.924 0.304 1.00 0.00 H new ATOM 893 N VAL A 455 5.671 -8.801 2.054 1.00 0.00 N ATOM 894 CA VAL A 455 4.755 -7.696 2.310 1.00 0.00 C ATOM 895 C VAL A 455 4.680 -6.757 1.110 1.00 0.00 C ATOM 896 O VAL A 455 5.600 -5.980 0.857 1.00 0.00 O ATOM 897 CB VAL A 455 5.181 -6.888 3.552 1.00 0.00 C ATOM 898 CG1 VAL A 455 4.113 -5.870 3.917 1.00 0.00 C ATOM 899 CG2 VAL A 455 5.464 -7.818 4.721 1.00 0.00 C ATOM 0 H VAL A 455 6.566 -8.524 1.650 1.00 0.00 H new ATOM 0 HA VAL A 455 3.773 -8.134 2.490 1.00 0.00 H new ATOM 0 HB VAL A 455 6.099 -6.349 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 455 4.430 -5.309 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.964 -5.184 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 455 3.178 -6.386 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.763 -7.231 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.565 -8.386 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 455 6.267 -8.505 4.453 1.00 0.00 H new ATOM 909 N VAL A 456 3.576 -6.835 0.373 1.00 0.00 N ATOM 910 CA VAL A 456 3.380 -5.993 -0.800 1.00 0.00 C ATOM 911 C VAL A 456 2.511 -4.784 -0.468 1.00 0.00 C ATOM 912 O VAL A 456 1.441 -4.920 0.125 1.00 0.00 O ATOM 913 CB VAL A 456 2.733 -6.781 -1.957 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.357 -7.293 -1.557 1.00 0.00 C ATOM 915 CG2 VAL A 456 2.647 -5.922 -3.210 1.00 0.00 C ATOM 0 H VAL A 456 2.804 -7.473 0.568 1.00 0.00 H new ATOM 0 HA VAL A 456 4.366 -5.651 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 456 3.364 -7.642 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 456 0.919 -7.846 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.451 -7.951 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 456 0.715 -6.450 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.188 -6.497 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.043 -5.038 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 456 3.649 -5.615 -3.510 1.00 0.00 H new ATOM 925 N THR A 457 2.979 -3.602 -0.855 1.00 0.00 N ATOM 926 CA THR A 457 2.244 -2.368 -0.598 1.00 0.00 C ATOM 927 C THR A 457 2.381 -1.395 -1.763 1.00 0.00 C ATOM 928 O THR A 457 3.452 -1.267 -2.356 1.00 0.00 O ATOM 929 CB THR A 457 2.735 -1.681 0.690 1.00 0.00 C ATOM 930 OG1 THR A 457 3.177 -2.663 1.633 1.00 0.00 O ATOM 931 CG2 THR A 457 1.628 -0.840 1.309 1.00 0.00 C ATOM 0 H THR A 457 3.863 -3.472 -1.347 1.00 0.00 H new ATOM 0 HA THR A 457 1.196 -2.642 -0.478 1.00 0.00 H new ATOM 0 HB THR A 457 3.568 -1.027 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.489 -2.217 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.997 -0.364 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.313 -0.074 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.779 -1.479 1.553 1.00 0.00 H new ATOM 939 N THR A 458 1.287 -0.712 -2.087 1.00 0.00 N ATOM 940 CA THR A 458 1.285 0.251 -3.182 1.00 0.00 C ATOM 941 C THR A 458 0.788 1.614 -2.713 1.00 0.00 C ATOM 942 O THR A 458 -0.108 1.704 -1.874 1.00 0.00 O ATOM 943 CB THR A 458 0.404 -0.229 -4.351 1.00 0.00 C ATOM 944 OG1 THR A 458 0.500 -1.652 -4.486 1.00 0.00 O ATOM 945 CG2 THR A 458 0.821 0.438 -5.653 1.00 0.00 C ATOM 0 H THR A 458 0.392 -0.808 -1.607 1.00 0.00 H new ATOM 0 HA THR A 458 2.315 0.341 -3.526 1.00 0.00 H new ATOM 0 HB THR A 458 -0.628 0.046 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.064 -1.949 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.185 0.083 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.718 1.519 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.860 0.190 -5.872 1.00 0.00 H new ATOM 953 N TYR A 459 1.376 2.673 -3.259 1.00 0.00 N ATOM 954 CA TYR A 459 0.993 4.033 -2.897 1.00 0.00 C ATOM 955 C TYR A 459 0.720 4.871 -4.141 1.00 0.00 C ATOM 956 O TYR A 459 1.620 5.122 -4.942 1.00 0.00 O ATOM 957 CB TYR A 459 2.093 4.687 -2.056 1.00 0.00 C ATOM 958 CG TYR A 459 2.091 4.249 -0.609 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.671 3.046 -0.227 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.509 5.039 0.375 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.671 2.642 1.094 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.507 4.642 1.698 1.00 0.00 C ATOM 963 CZ TYR A 459 2.088 3.443 2.053 1.00 0.00 C ATOM 964 OH TYR A 459 2.087 3.045 3.370 1.00 0.00 O ATOM 0 H TYR A 459 2.120 2.616 -3.954 1.00 0.00 H new ATOM 0 HA TYR A 459 0.077 3.982 -2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 459 3.062 4.453 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.976 5.770 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 459 3.129 2.416 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.051 5.978 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.125 1.703 1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.052 5.268 2.451 1.00 0.00 H new ATOM 0 HH TYR A 459 1.638 3.723 3.916 1.00 0.00 H new ATOM 974 N GLU A 460 -0.528 5.302 -4.294 1.00 0.00 N ATOM 975 CA GLU A 460 -0.921 6.114 -5.442 1.00 0.00 C ATOM 976 C GLU A 460 -1.400 7.492 -4.995 1.00 0.00 C ATOM 977 O GLU A 460 -2.461 7.624 -4.386 1.00 0.00 O ATOM 978 CB GLU A 460 -2.024 5.411 -6.235 1.00 0.00 C ATOM 979 CG GLU A 460 -1.497 4.452 -7.290 1.00 0.00 C ATOM 980 CD GLU A 460 -1.048 5.160 -8.551 1.00 0.00 C ATOM 981 OE1 GLU A 460 0.100 5.651 -8.579 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.844 5.226 -9.513 1.00 0.00 O ATOM 0 H GLU A 460 -1.284 5.103 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.048 6.242 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -2.664 4.862 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.648 6.163 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -0.660 3.888 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.275 3.731 -7.541 1.00 0.00 H new ATOM 989 N GLY A 461 -0.608 8.515 -5.300 1.00 0.00 N ATOM 990 CA GLY A 461 -0.967 9.869 -4.922 1.00 0.00 C ATOM 991 C GLY A 461 0.062 10.510 -4.011 1.00 0.00 C ATOM 992 O GLY A 461 0.759 9.818 -3.268 1.00 0.00 O ATOM 0 H GLY A 461 0.276 8.430 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.080 10.476 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -1.935 9.858 -4.421 1.00 0.00 H new ATOM 996 N LYS A 462 0.156 11.835 -4.067 1.00 0.00 N ATOM 997 CA LYS A 462 1.108 12.570 -3.241 1.00 0.00 C ATOM 998 C LYS A 462 0.384 13.413 -2.196 1.00 0.00 C ATOM 999 O LYS A 462 -0.718 13.906 -2.438 1.00 0.00 O ATOM 1000 CB LYS A 462 1.991 13.464 -4.113 1.00 0.00 C ATOM 1001 CG LYS A 462 2.869 12.690 -5.084 1.00 0.00 C ATOM 1002 CD LYS A 462 2.595 13.085 -6.527 1.00 0.00 C ATOM 1003 CE LYS A 462 3.858 13.023 -7.370 1.00 0.00 C ATOM 1004 NZ LYS A 462 4.469 11.668 -7.357 1.00 0.00 N ATOM 0 H LYS A 462 -0.415 12.421 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 462 1.737 11.845 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 462 1.357 14.149 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.625 14.073 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.918 12.871 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.695 11.621 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.841 12.422 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 462 2.185 14.094 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.623 13.305 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 462 4.579 13.750 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 5.257 11.636 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 4.824 11.457 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 3.754 10.962 -7.624 1.00 0.00 H new ATOM 1018 N HIS A 463 1.012 13.575 -1.036 1.00 0.00 N ATOM 1019 CA HIS A 463 0.427 14.361 0.044 1.00 0.00 C ATOM 1020 C HIS A 463 0.323 15.831 -0.347 1.00 0.00 C ATOM 1021 O HIS A 463 1.182 16.359 -1.052 1.00 0.00 O ATOM 1022 CB HIS A 463 1.266 14.218 1.317 1.00 0.00 C ATOM 1023 CG HIS A 463 1.202 12.853 1.926 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.106 12.390 2.621 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.105 11.844 1.940 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.336 11.158 3.039 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.543 10.803 2.638 1.00 0.00 N ATOM 0 H HIS A 463 1.924 13.173 -0.820 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.578 13.983 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.304 14.456 1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.927 14.950 2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 463 3.085 11.856 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.346 10.546 3.611 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.986 9.902 2.817 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.737 16.487 0.114 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.953 17.897 -0.190 1.00 0.00 C ATOM 1037 C ASN A 464 -1.076 18.724 1.089 1.00 0.00 C ATOM 1038 O ASN A 464 -1.635 19.821 1.076 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.210 18.067 -1.046 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.972 18.955 -2.252 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.520 20.092 -2.120 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.277 18.438 -3.437 1.00 0.00 N ATOM 0 H ASN A 464 -1.459 16.066 0.699 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.089 18.258 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.553 17.088 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -3.007 18.493 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.139 18.989 -4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.649 17.490 -3.499 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.551 18.195 2.191 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.607 18.894 3.471 1.00 0.00 C ATOM 1051 C HIS A 465 0.704 18.748 4.242 1.00 0.00 C ATOM 1052 O HIS A 465 0.769 19.060 5.433 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.767 18.364 4.312 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.680 16.898 4.607 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -1.473 16.395 5.873 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.784 15.823 3.790 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.454 15.075 5.824 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.642 14.703 4.572 1.00 0.00 N ATOM 0 H HIS A 465 -0.084 17.289 2.223 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.765 19.953 3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.802 18.913 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.703 18.565 3.791 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.353 16.955 6.717 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.948 15.843 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -1.309 14.413 6.665 1.00 0.00 H new