USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 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= -0.0243 USER MOD Set 2.1: A 434 CYS SG : rot -62:sc= 0.272 USER MOD Set 2.2: A 436 THR OG1 : rot 170:sc= 2.05 USER MOD Set 2.3: A 439 CYS SG : rot -125:sc= -5.22! USER MOD Set 2.4: A 463 HIS : no HD1:sc= 0 X(o=-4.8,f=-4.9) USER MOD Set 2.5: A 465 HIS : no HE2:sc= -1.92! C(o=-4.8!,f=-6.4!) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.488 K(o=-0.49,f=-3.6!) 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 15:sc= -0.801 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -64:sc= 0.633 USER MOD Single : A 444 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.37) USER MOD Single : A 450 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 453 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.441) USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.732 10.751 8.830 1.00 0.00 N ATOM 186 CA TYR A 412 -0.425 10.973 7.970 1.00 0.00 C ATOM 187 C TYR A 412 -1.672 10.322 8.557 1.00 0.00 C ATOM 188 O TYR A 412 -1.587 9.318 9.264 1.00 0.00 O ATOM 189 CB TYR A 412 -0.157 10.418 6.568 1.00 0.00 C ATOM 190 CG TYR A 412 1.203 10.786 6.021 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.578 12.116 5.874 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.111 9.804 5.649 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.820 12.457 5.373 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.356 10.136 5.147 1.00 0.00 C ATOM 195 CZ TYR A 412 3.705 11.463 5.011 1.00 0.00 C ATOM 196 OH TYR A 412 4.942 11.797 4.512 1.00 0.00 O ATOM 0 HA TYR A 412 -0.596 12.047 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.248 9.332 6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.925 10.786 5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.887 12.897 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.841 8.764 5.753 1.00 0.00 H new ATOM 0 HE1 TYR A 412 3.096 13.496 5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.051 9.360 4.863 1.00 0.00 H new ATOM 0 HH TYR A 412 5.443 10.980 4.307 1.00 0.00 H new ATOM 206 N ARG A 413 -2.832 10.899 8.258 1.00 0.00 N ATOM 207 CA ARG A 413 -4.098 10.376 8.756 1.00 0.00 C ATOM 208 C ARG A 413 -4.764 9.480 7.715 1.00 0.00 C ATOM 209 O ARG A 413 -5.207 9.952 6.669 1.00 0.00 O ATOM 210 CB ARG A 413 -5.035 11.525 9.136 1.00 0.00 C ATOM 211 CG ARG A 413 -5.207 11.698 10.637 1.00 0.00 C ATOM 212 CD ARG A 413 -6.511 11.087 11.124 1.00 0.00 C ATOM 213 NE ARG A 413 -6.573 11.021 12.583 1.00 0.00 N ATOM 214 CZ ARG A 413 -5.965 10.087 13.310 1.00 0.00 C ATOM 215 NH1 ARG A 413 -5.247 9.140 12.718 1.00 0.00 N ATOM 216 NH2 ARG A 413 -6.073 10.100 14.632 1.00 0.00 N ATOM 0 H ARG A 413 -2.920 11.730 7.673 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.892 9.778 9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.649 12.453 8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -6.012 11.351 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.370 11.232 11.156 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -5.186 12.759 10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -7.349 11.676 10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -6.618 10.084 10.711 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.114 11.733 13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.160 9.126 11.702 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -4.783 8.426 13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -6.622 10.826 15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -5.607 9.384 15.189 1.00 0.00 H new ATOM 230 N TRP A 414 -4.832 8.187 8.011 1.00 0.00 N ATOM 231 CA TRP A 414 -5.443 7.226 7.101 1.00 0.00 C ATOM 232 C TRP A 414 -6.792 6.754 7.634 1.00 0.00 C ATOM 233 O TRP A 414 -7.083 6.889 8.822 1.00 0.00 O ATOM 234 CB TRP A 414 -4.516 6.025 6.894 1.00 0.00 C ATOM 235 CG TRP A 414 -3.175 6.397 6.340 1.00 0.00 C ATOM 236 CD1 TRP A 414 -2.076 6.792 7.048 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.792 6.413 4.960 1.00 0.00 C ATOM 238 NE1 TRP A 414 -1.032 7.051 6.192 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.447 6.825 4.906 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.455 6.116 3.766 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.754 6.949 3.704 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.766 6.239 2.573 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.427 6.652 2.549 1.00 0.00 C ATOM 0 H TRP A 414 -4.471 7.780 8.874 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.603 7.722 6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.378 5.513 7.847 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.996 5.317 6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.033 6.887 8.123 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.101 7.361 6.469 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.487 5.796 3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.278 7.268 3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -3.268 6.013 1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.916 6.738 1.601 1.00 0.00 H new ATOM 254 N ARG A 415 -7.612 6.200 6.747 1.00 0.00 N ATOM 255 CA ARG A 415 -8.931 5.710 7.128 1.00 0.00 C ATOM 256 C ARG A 415 -9.321 4.494 6.293 1.00 0.00 C ATOM 257 O ARG A 415 -9.043 4.436 5.096 1.00 0.00 O ATOM 258 CB ARG A 415 -9.977 6.813 6.964 1.00 0.00 C ATOM 259 CG ARG A 415 -11.031 6.823 8.060 1.00 0.00 C ATOM 260 CD ARG A 415 -12.419 7.087 7.498 1.00 0.00 C ATOM 261 NE ARG A 415 -13.189 7.994 8.348 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.721 7.642 9.516 1.00 0.00 C ATOM 263 NH1 ARG A 415 -13.570 6.406 9.977 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.406 8.528 10.225 1.00 0.00 N ATOM 0 H ARG A 415 -7.386 6.079 5.760 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.891 5.412 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.473 7.780 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.470 6.694 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.025 5.865 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.784 7.588 8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -12.331 7.513 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.955 6.143 7.396 1.00 0.00 H new ATOM 0 HE ARG A 415 -13.326 8.952 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -13.044 5.720 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.980 6.142 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.525 9.479 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.814 8.259 11.120 1.00 0.00 H new ATOM 278 N LYS A 416 -9.968 3.525 6.934 1.00 0.00 N ATOM 279 CA LYS A 416 -10.396 2.311 6.249 1.00 0.00 C ATOM 280 C LYS A 416 -11.683 2.552 5.468 1.00 0.00 C ATOM 281 O LYS A 416 -12.611 3.192 5.962 1.00 0.00 O ATOM 282 CB LYS A 416 -10.602 1.178 7.255 1.00 0.00 C ATOM 283 CG LYS A 416 -10.413 -0.208 6.657 1.00 0.00 C ATOM 284 CD LYS A 416 -9.771 -1.164 7.650 1.00 0.00 C ATOM 285 CE LYS A 416 -10.751 -2.232 8.115 1.00 0.00 C ATOM 286 NZ LYS A 416 -11.313 -1.923 9.458 1.00 0.00 N ATOM 0 H LYS A 416 -10.207 3.557 7.925 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.613 2.026 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.904 1.306 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.607 1.251 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.379 -0.604 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.791 -0.138 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.905 -1.640 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -9.407 -0.604 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.563 -2.319 7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.247 -3.198 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -11.975 -2.674 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -10.541 -1.865 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.816 -1.013 9.423 1.00 0.00 H new ATOM 300 N TYR A 417 -11.733 2.034 4.244 1.00 0.00 N ATOM 301 CA TYR A 417 -12.905 2.193 3.393 1.00 0.00 C ATOM 302 C TYR A 417 -13.344 0.850 2.820 1.00 0.00 C ATOM 303 O TYR A 417 -14.529 0.515 2.830 1.00 0.00 O ATOM 304 CB TYR A 417 -12.608 3.174 2.257 1.00 0.00 C ATOM 305 CG TYR A 417 -11.490 2.722 1.344 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.183 2.638 1.806 1.00 0.00 C ATOM 307 CD2 TYR A 417 -11.743 2.379 0.023 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.158 2.227 0.975 1.00 0.00 C ATOM 309 CE2 TYR A 417 -10.724 1.965 -0.814 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.433 1.891 -0.334 1.00 0.00 C ATOM 311 OH TYR A 417 -8.417 1.480 -1.164 1.00 0.00 O ATOM 0 H TYR A 417 -10.974 1.500 3.820 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.716 2.591 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.513 3.318 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.348 4.143 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.964 2.898 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -12.752 2.437 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.146 2.169 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -10.938 1.701 -1.839 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.781 1.280 -2.052 1.00 0.00 H new ATOM 321 N GLY A 418 -12.381 0.084 2.317 1.00 0.00 N ATOM 322 CA GLY A 418 -12.688 -1.213 1.745 1.00 0.00 C ATOM 323 C GLY A 418 -11.708 -2.286 2.182 1.00 0.00 C ATOM 324 O GLY A 418 -10.694 -1.989 2.813 1.00 0.00 O ATOM 0 H GLY A 418 -11.394 0.339 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.697 -1.506 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.680 -1.138 0.658 1.00 0.00 H new ATOM 328 N GLN A 419 -12.013 -3.536 1.848 1.00 0.00 N ATOM 329 CA GLN A 419 -11.153 -4.655 2.210 1.00 0.00 C ATOM 330 C GLN A 419 -11.554 -5.918 1.456 1.00 0.00 C ATOM 331 O GLN A 419 -12.731 -6.271 1.399 1.00 0.00 O ATOM 332 CB GLN A 419 -11.216 -4.906 3.719 1.00 0.00 C ATOM 333 CG GLN A 419 -12.634 -5.002 4.260 1.00 0.00 C ATOM 334 CD GLN A 419 -12.732 -5.898 5.479 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.968 -7.101 5.363 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.553 -5.313 6.658 1.00 0.00 N ATOM 0 H GLN A 419 -12.850 -3.799 1.327 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.131 -4.399 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.685 -5.830 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.692 -4.101 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.989 -4.004 4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.292 -5.383 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.359 -4.313 6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.609 -5.864 7.514 1.00 0.00 H new ATOM 345 N LYS A 420 -10.567 -6.595 0.878 1.00 0.00 N ATOM 346 CA LYS A 420 -10.819 -7.819 0.127 1.00 0.00 C ATOM 347 C LYS A 420 -10.373 -9.045 0.916 1.00 0.00 C ATOM 348 O LYS A 420 -9.528 -8.947 1.807 1.00 0.00 O ATOM 349 CB LYS A 420 -10.094 -7.772 -1.221 1.00 0.00 C ATOM 350 CG LYS A 420 -10.928 -7.169 -2.340 1.00 0.00 C ATOM 351 CD LYS A 420 -11.331 -8.218 -3.366 1.00 0.00 C ATOM 352 CE LYS A 420 -10.204 -8.497 -4.346 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.561 -9.575 -5.309 1.00 0.00 N ATOM 0 H LYS A 420 -9.586 -6.317 0.915 1.00 0.00 H new ATOM 0 HA LYS A 420 -11.892 -7.895 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.177 -7.194 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.801 -8.784 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.822 -6.708 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.361 -6.378 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -11.608 -9.140 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.212 -7.877 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.965 -7.585 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.307 -8.783 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.766 -9.736 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.765 -10.452 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.402 -9.291 -5.852 1.00 0.00 H new ATOM 367 N VAL A 421 -10.944 -10.197 0.584 1.00 0.00 N ATOM 368 CA VAL A 421 -10.606 -11.443 1.263 1.00 0.00 C ATOM 369 C VAL A 421 -10.217 -12.526 0.262 1.00 0.00 C ATOM 370 O VAL A 421 -10.884 -12.713 -0.755 1.00 0.00 O ATOM 371 CB VAL A 421 -11.780 -11.947 2.127 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.992 -12.257 1.261 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.365 -13.168 2.936 1.00 0.00 C ATOM 0 H VAL A 421 -11.644 -10.295 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.755 -11.232 1.911 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.056 -11.156 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.808 -12.611 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.304 -11.354 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.733 -13.028 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.207 -13.508 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.057 -13.965 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.533 -12.906 3.590 1.00 0.00 H new ATOM 383 N VAL A 422 -9.135 -13.237 0.560 1.00 0.00 N ATOM 384 CA VAL A 422 -8.655 -14.303 -0.313 1.00 0.00 C ATOM 385 C VAL A 422 -8.735 -15.658 0.383 1.00 0.00 C ATOM 386 O VAL A 422 -8.200 -15.836 1.478 1.00 0.00 O ATOM 387 CB VAL A 422 -7.203 -14.054 -0.762 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.775 -15.087 -1.793 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.048 -12.645 -1.316 1.00 0.00 C ATOM 0 H VAL A 422 -8.573 -13.095 1.399 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.301 -14.308 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.554 -14.153 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.746 -14.893 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.843 -16.084 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.428 -15.025 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.015 -12.488 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.709 -12.516 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.308 -11.920 -0.545 1.00 0.00 H new ATOM 399 N LYS A 423 -9.406 -16.609 -0.256 1.00 0.00 N ATOM 400 CA LYS A 423 -9.555 -17.947 0.302 1.00 0.00 C ATOM 401 C LYS A 423 -8.196 -18.616 0.484 1.00 0.00 C ATOM 402 O LYS A 423 -7.391 -18.673 -0.445 1.00 0.00 O ATOM 403 CB LYS A 423 -10.443 -18.805 -0.602 1.00 0.00 C ATOM 404 CG LYS A 423 -11.487 -19.609 0.157 1.00 0.00 C ATOM 405 CD LYS A 423 -10.846 -20.677 1.025 1.00 0.00 C ATOM 406 CE LYS A 423 -10.363 -21.854 0.195 1.00 0.00 C ATOM 407 NZ LYS A 423 -11.442 -22.857 -0.028 1.00 0.00 N ATOM 0 H LYS A 423 -9.856 -16.478 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.027 -17.854 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.946 -18.159 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.814 -19.489 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.080 -18.940 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -12.172 -20.077 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.007 -20.247 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.565 -21.024 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -9.997 -21.494 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -9.522 -22.331 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -11.072 -23.644 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -11.774 -23.220 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -12.235 -22.408 -0.530 1.00 0.00 H new ATOM 421 N GLY A 424 -7.946 -19.118 1.690 1.00 0.00 N ATOM 422 CA GLY A 424 -6.683 -19.773 1.974 1.00 0.00 C ATOM 423 C GLY A 424 -5.706 -18.864 2.692 1.00 0.00 C ATOM 424 O GLY A 424 -4.850 -19.331 3.443 1.00 0.00 O ATOM 0 H GLY A 424 -8.596 -19.082 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.866 -20.658 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.237 -20.115 1.040 1.00 0.00 H new ATOM 428 N ASN A 425 -5.832 -17.562 2.458 1.00 0.00 N ATOM 429 CA ASN A 425 -4.954 -16.584 3.089 1.00 0.00 C ATOM 430 C ASN A 425 -5.461 -16.215 4.483 1.00 0.00 C ATOM 431 O ASN A 425 -6.501 -15.572 4.620 1.00 0.00 O ATOM 432 CB ASN A 425 -4.854 -15.326 2.223 1.00 0.00 C ATOM 433 CG ASN A 425 -4.271 -15.613 0.853 1.00 0.00 C ATOM 434 OD1 ASN A 425 -4.372 -16.728 0.344 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.653 -14.604 0.251 1.00 0.00 N ATOM 0 H ASN A 425 -6.533 -17.160 1.836 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.965 -17.031 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.845 -14.887 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.235 -14.587 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.238 -14.737 -0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.593 -13.695 0.711 1.00 0.00 H new ATOM 442 N PRO A 426 -4.731 -16.615 5.541 1.00 0.00 N ATOM 443 CA PRO A 426 -5.122 -16.315 6.924 1.00 0.00 C ATOM 444 C PRO A 426 -5.039 -14.826 7.247 1.00 0.00 C ATOM 445 O PRO A 426 -5.571 -14.371 8.258 1.00 0.00 O ATOM 446 CB PRO A 426 -4.109 -17.099 7.763 1.00 0.00 C ATOM 447 CG PRO A 426 -2.928 -17.269 6.873 1.00 0.00 C ATOM 448 CD PRO A 426 -3.475 -17.384 5.477 1.00 0.00 C ATOM 0 HA PRO A 426 -6.159 -16.589 7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.845 -16.558 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.513 -18.063 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.250 -16.420 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.360 -18.159 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.787 -16.970 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.653 -18.423 5.199 1.00 0.00 H new ATOM 456 N TYR A 427 -4.370 -14.069 6.381 1.00 0.00 N ATOM 457 CA TYR A 427 -4.220 -12.632 6.579 1.00 0.00 C ATOM 458 C TYR A 427 -5.025 -11.853 5.540 1.00 0.00 C ATOM 459 O TYR A 427 -4.544 -11.596 4.436 1.00 0.00 O ATOM 460 CB TYR A 427 -2.744 -12.236 6.497 1.00 0.00 C ATOM 461 CG TYR A 427 -1.839 -13.085 7.360 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.031 -13.166 8.734 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.792 -13.808 6.801 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.205 -13.941 9.525 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.038 -14.586 7.586 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.173 -14.649 8.947 1.00 0.00 C ATOM 467 OH TYR A 427 0.651 -15.422 9.732 1.00 0.00 O ATOM 0 H TYR A 427 -3.924 -14.427 5.537 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.601 -12.385 7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.415 -12.307 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.640 -11.192 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.839 -12.614 9.191 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.624 -13.761 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.367 -13.992 10.592 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.847 -15.141 7.136 1.00 0.00 H new ATOM 0 HH TYR A 427 1.326 -15.856 9.169 1.00 0.00 H new ATOM 477 N PRO A 428 -6.267 -11.462 5.880 1.00 0.00 N ATOM 478 CA PRO A 428 -7.135 -10.709 4.968 1.00 0.00 C ATOM 479 C PRO A 428 -6.431 -9.500 4.362 1.00 0.00 C ATOM 480 O PRO A 428 -5.333 -9.133 4.782 1.00 0.00 O ATOM 481 CB PRO A 428 -8.288 -10.260 5.867 1.00 0.00 C ATOM 482 CG PRO A 428 -8.342 -11.282 6.948 1.00 0.00 C ATOM 483 CD PRO A 428 -6.923 -11.724 7.176 1.00 0.00 C ATOM 0 HA PRO A 428 -7.450 -11.311 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.110 -9.264 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.227 -10.217 5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.771 -10.864 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.970 -12.124 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.453 -11.163 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.870 -12.779 7.447 1.00 0.00 H new ATOM 491 N ARG A 429 -7.067 -8.887 3.368 1.00 0.00 N ATOM 492 CA ARG A 429 -6.501 -7.720 2.703 1.00 0.00 C ATOM 493 C ARG A 429 -7.216 -6.444 3.135 1.00 0.00 C ATOM 494 O ARG A 429 -8.423 -6.302 2.943 1.00 0.00 O ATOM 495 CB ARG A 429 -6.592 -7.879 1.184 1.00 0.00 C ATOM 496 CG ARG A 429 -5.467 -8.710 0.589 1.00 0.00 C ATOM 497 CD ARG A 429 -5.682 -8.960 -0.894 1.00 0.00 C ATOM 498 NE ARG A 429 -4.974 -10.150 -1.358 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.914 -10.528 -2.633 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.517 -9.812 -3.574 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.248 -11.625 -2.968 1.00 0.00 N ATOM 0 H ARG A 429 -7.975 -9.180 3.006 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.453 -7.642 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.546 -8.342 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.585 -6.891 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.517 -8.197 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.401 -9.663 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.748 -9.073 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.343 -8.093 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.497 -10.726 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.030 -8.967 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -5.468 -10.107 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.782 -12.178 -2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.202 -11.915 -3.945 1.00 0.00 H new ATOM 515 N SER A 430 -6.461 -5.519 3.721 1.00 0.00 N ATOM 516 CA SER A 430 -7.022 -4.254 4.179 1.00 0.00 C ATOM 517 C SER A 430 -6.636 -3.117 3.240 1.00 0.00 C ATOM 518 O SER A 430 -5.548 -3.116 2.663 1.00 0.00 O ATOM 519 CB SER A 430 -6.542 -3.943 5.598 1.00 0.00 C ATOM 520 OG SER A 430 -7.054 -4.883 6.527 1.00 0.00 O ATOM 0 H SER A 430 -5.460 -5.623 3.889 1.00 0.00 H new ATOM 0 HA SER A 430 -8.108 -4.347 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.452 -3.954 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.858 -2.939 5.880 1.00 0.00 H new ATOM 0 HG SER A 430 -6.731 -4.663 7.426 1.00 0.00 H new ATOM 526 N TYR A 431 -7.536 -2.149 3.088 1.00 0.00 N ATOM 527 CA TYR A 431 -7.287 -1.007 2.214 1.00 0.00 C ATOM 528 C TYR A 431 -7.582 0.304 2.935 1.00 0.00 C ATOM 529 O TYR A 431 -8.723 0.576 3.309 1.00 0.00 O ATOM 530 CB TYR A 431 -8.141 -1.109 0.949 1.00 0.00 C ATOM 531 CG TYR A 431 -7.952 -2.405 0.193 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.684 -2.935 -0.011 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.043 -3.099 -0.318 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.508 -4.118 -0.702 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.874 -4.282 -1.010 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.606 -4.788 -1.199 1.00 0.00 C ATOM 537 OH TYR A 431 -7.435 -5.967 -1.889 1.00 0.00 O ATOM 0 H TYR A 431 -8.441 -2.133 3.557 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.234 -1.019 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.192 -1.007 1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.900 -0.275 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.822 -2.413 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.038 -2.707 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.515 -4.516 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.732 -4.809 -1.401 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.529 -6.308 -1.735 1.00 0.00 H new ATOM 547 N TYR A 432 -6.545 1.114 3.124 1.00 0.00 N ATOM 548 CA TYR A 432 -6.694 2.399 3.798 1.00 0.00 C ATOM 549 C TYR A 432 -6.566 3.549 2.803 1.00 0.00 C ATOM 550 O TYR A 432 -6.255 3.336 1.631 1.00 0.00 O ATOM 551 CB TYR A 432 -5.643 2.545 4.901 1.00 0.00 C ATOM 552 CG TYR A 432 -5.592 1.367 5.848 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.389 1.332 6.986 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.749 0.291 5.604 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.345 0.257 7.854 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.700 -0.787 6.467 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.499 -0.799 7.590 1.00 0.00 C ATOM 558 OH TYR A 432 -5.453 -1.871 8.453 1.00 0.00 O ATOM 0 H TYR A 432 -5.594 0.904 2.821 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.687 2.435 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.663 2.675 4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.850 3.450 5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -7.053 2.158 7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -4.121 0.297 4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -6.970 0.244 8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -4.039 -1.616 6.263 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.807 -2.530 8.122 1.00 0.00 H new ATOM 568 N LYS A 433 -6.809 4.768 3.276 1.00 0.00 N ATOM 569 CA LYS A 433 -6.721 5.947 2.424 1.00 0.00 C ATOM 570 C LYS A 433 -6.479 7.205 3.252 1.00 0.00 C ATOM 571 O LYS A 433 -7.215 7.491 4.196 1.00 0.00 O ATOM 572 CB LYS A 433 -8.002 6.103 1.602 1.00 0.00 C ATOM 573 CG LYS A 433 -9.261 6.185 2.449 1.00 0.00 C ATOM 574 CD LYS A 433 -10.505 6.351 1.589 1.00 0.00 C ATOM 575 CE LYS A 433 -11.327 7.555 2.021 1.00 0.00 C ATOM 576 NZ LYS A 433 -10.760 8.829 1.503 1.00 0.00 N ATOM 0 H LYS A 433 -7.068 4.964 4.243 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.876 5.812 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.925 7.003 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.089 5.260 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.353 5.282 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -9.181 7.024 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.214 6.464 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.116 5.450 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.351 7.442 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.371 7.593 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -11.349 9.625 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -9.792 8.950 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.742 8.804 0.463 1.00 0.00 H new ATOM 590 N CYS A 434 -5.443 7.955 2.887 1.00 0.00 N ATOM 591 CA CYS A 434 -5.106 9.185 3.594 1.00 0.00 C ATOM 592 C CYS A 434 -6.140 10.271 3.313 1.00 0.00 C ATOM 593 O CYS A 434 -6.080 10.949 2.286 1.00 0.00 O ATOM 594 CB CYS A 434 -3.713 9.670 3.184 1.00 0.00 C ATOM 595 SG CYS A 434 -3.026 10.944 4.266 1.00 0.00 S ATOM 0 H CYS A 434 -4.824 7.733 2.107 1.00 0.00 H new ATOM 0 HA CYS A 434 -5.107 8.974 4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -3.034 8.818 3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.761 10.059 2.167 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.790 11.995 4.238 1.00 0.00 H new ATOM 600 N THR A 435 -7.092 10.424 4.228 1.00 0.00 N ATOM 601 CA THR A 435 -8.145 11.422 4.079 1.00 0.00 C ATOM 602 C THR A 435 -7.794 12.711 4.818 1.00 0.00 C ATOM 603 O THR A 435 -8.405 13.043 5.834 1.00 0.00 O ATOM 604 CB THR A 435 -9.496 10.894 4.599 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.458 11.956 4.631 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.345 10.297 5.990 1.00 0.00 C ATOM 0 H THR A 435 -7.156 9.869 5.081 1.00 0.00 H new ATOM 0 HA THR A 435 -8.232 11.633 3.013 1.00 0.00 H new ATOM 0 HB THR A 435 -9.841 10.113 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.171 12.638 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.312 9.931 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.635 9.471 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.980 11.061 6.676 1.00 0.00 H new ATOM 614 N THR A 436 -6.811 13.434 4.296 1.00 0.00 N ATOM 615 CA THR A 436 -6.381 14.689 4.901 1.00 0.00 C ATOM 616 C THR A 436 -6.981 15.882 4.157 1.00 0.00 C ATOM 617 O THR A 436 -7.340 15.774 2.985 1.00 0.00 O ATOM 618 CB THR A 436 -4.842 14.812 4.908 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.248 13.566 4.522 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.333 15.210 6.287 1.00 0.00 C ATOM 0 H THR A 436 -6.296 13.173 3.455 1.00 0.00 H new ATOM 0 HA THR A 436 -6.736 14.690 5.931 1.00 0.00 H new ATOM 0 HB THR A 436 -4.562 15.588 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.289 13.694 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.246 15.290 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.762 16.172 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.626 14.454 7.015 1.00 0.00 H new ATOM 628 N PRO A 437 -7.103 17.042 4.829 1.00 0.00 N ATOM 629 CA PRO A 437 -7.665 18.251 4.220 1.00 0.00 C ATOM 630 C PRO A 437 -7.023 18.578 2.877 1.00 0.00 C ATOM 631 O PRO A 437 -5.945 19.169 2.820 1.00 0.00 O ATOM 632 CB PRO A 437 -7.354 19.342 5.244 1.00 0.00 C ATOM 633 CG PRO A 437 -7.275 18.621 6.545 1.00 0.00 C ATOM 634 CD PRO A 437 -6.703 17.267 6.233 1.00 0.00 C ATOM 0 HA PRO A 437 -8.728 18.142 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.416 19.848 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.132 20.105 5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.642 19.159 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.260 18.532 7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.619 17.252 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.105 16.499 6.894 1.00 0.00 H new ATOM 642 N GLY A 438 -7.693 18.187 1.796 1.00 0.00 N ATOM 643 CA GLY A 438 -7.171 18.445 0.467 1.00 0.00 C ATOM 644 C GLY A 438 -6.428 17.254 -0.106 1.00 0.00 C ATOM 645 O GLY A 438 -6.326 17.104 -1.323 1.00 0.00 O ATOM 0 H GLY A 438 -8.587 17.697 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.993 18.710 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.501 19.304 0.504 1.00 0.00 H new ATOM 649 N CYS A 439 -5.906 16.405 0.775 1.00 0.00 N ATOM 650 CA CYS A 439 -5.165 15.223 0.351 1.00 0.00 C ATOM 651 C CYS A 439 -6.088 14.011 0.242 1.00 0.00 C ATOM 652 O CYS A 439 -6.910 13.761 1.125 1.00 0.00 O ATOM 653 CB CYS A 439 -4.027 14.931 1.331 1.00 0.00 C ATOM 654 SG CYS A 439 -3.132 13.392 1.002 1.00 0.00 S ATOM 0 H CYS A 439 -5.983 16.514 1.786 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.743 15.422 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.320 15.760 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.435 14.891 2.341 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.132 12.653 2.071 1.00 0.00 H new ATOM 659 N GLY A 440 -5.942 13.261 -0.846 1.00 0.00 N ATOM 660 CA GLY A 440 -6.760 12.082 -1.054 1.00 0.00 C ATOM 661 C GLY A 440 -5.951 10.907 -1.567 1.00 0.00 C ATOM 662 O GLY A 440 -6.190 10.415 -2.671 1.00 0.00 O ATOM 0 H GLY A 440 -5.269 13.450 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.243 11.807 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.553 12.313 -1.765 1.00 0.00 H new ATOM 666 N VAL A 441 -4.989 10.461 -0.768 1.00 0.00 N ATOM 667 CA VAL A 441 -4.135 9.341 -1.147 1.00 0.00 C ATOM 668 C VAL A 441 -4.759 8.009 -0.747 1.00 0.00 C ATOM 669 O VAL A 441 -5.618 7.953 0.133 1.00 0.00 O ATOM 670 CB VAL A 441 -2.739 9.455 -0.503 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.810 8.374 -1.035 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.149 10.837 -0.743 1.00 0.00 C ATOM 0 H VAL A 441 -4.780 10.858 0.148 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.032 9.378 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.847 9.311 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.831 8.473 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.224 7.392 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.709 8.481 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.164 10.897 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.058 11.013 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.802 11.592 -0.306 1.00 0.00 H new ATOM 682 N ARG A 442 -4.319 6.937 -1.398 1.00 0.00 N ATOM 683 CA ARG A 442 -4.832 5.602 -1.112 1.00 0.00 C ATOM 684 C ARG A 442 -3.708 4.571 -1.140 1.00 0.00 C ATOM 685 O ARG A 442 -2.800 4.651 -1.966 1.00 0.00 O ATOM 686 CB ARG A 442 -5.914 5.221 -2.124 1.00 0.00 C ATOM 687 CG ARG A 442 -7.171 6.068 -2.019 1.00 0.00 C ATOM 688 CD ARG A 442 -8.395 5.313 -2.508 1.00 0.00 C ATOM 689 NE ARG A 442 -8.709 5.622 -3.901 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.474 4.858 -4.676 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.004 3.738 -4.201 1.00 0.00 N ATOM 692 NH2 ARG A 442 -9.709 5.215 -5.932 1.00 0.00 N ATOM 0 H ARG A 442 -3.607 6.967 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.267 5.613 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.507 5.314 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.179 4.173 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.320 6.372 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.047 6.979 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.225 4.241 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.250 5.563 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.318 6.474 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.826 3.458 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -10.590 3.157 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.303 6.074 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.295 4.630 -6.527 1.00 0.00 H new ATOM 706 N LYS A 443 -3.776 3.603 -0.231 1.00 0.00 N ATOM 707 CA LYS A 443 -2.764 2.556 -0.153 1.00 0.00 C ATOM 708 C LYS A 443 -3.398 1.206 0.165 1.00 0.00 C ATOM 709 O LYS A 443 -4.355 1.125 0.934 1.00 0.00 O ATOM 710 CB LYS A 443 -1.718 2.906 0.909 1.00 0.00 C ATOM 711 CG LYS A 443 -2.270 2.923 2.326 1.00 0.00 C ATOM 712 CD LYS A 443 -1.215 3.358 3.331 1.00 0.00 C ATOM 713 CE LYS A 443 -1.251 2.497 4.584 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.480 3.112 5.701 1.00 0.00 N ATOM 0 H LYS A 443 -4.521 3.522 0.461 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.275 2.486 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.902 2.185 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.295 3.884 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.123 3.600 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.635 1.930 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.228 3.296 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.376 4.402 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.286 2.350 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -0.842 1.512 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -0.528 2.495 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.513 3.229 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.885 4.041 5.932 1.00 0.00 H new ATOM 728 N HIS A 444 -2.857 0.149 -0.432 1.00 0.00 N ATOM 729 CA HIS A 444 -3.370 -1.199 -0.212 1.00 0.00 C ATOM 730 C HIS A 444 -2.337 -2.062 0.505 1.00 0.00 C ATOM 731 O HIS A 444 -1.259 -2.328 -0.027 1.00 0.00 O ATOM 732 CB HIS A 444 -3.755 -1.844 -1.545 1.00 0.00 C ATOM 733 CG HIS A 444 -4.564 -0.950 -2.430 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.000 -0.078 -3.338 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.905 -0.793 -2.544 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.958 0.576 -3.971 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.123 0.159 -3.508 1.00 0.00 N ATOM 0 H HIS A 444 -2.064 0.199 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.257 -1.127 0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.848 -2.139 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.320 -2.755 -1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.662 -1.319 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.813 1.324 -4.736 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -7.037 0.491 -3.817 1.00 0.00 H new ATOM 746 N VAL A 445 -2.673 -2.495 1.715 1.00 0.00 N ATOM 747 CA VAL A 445 -1.774 -3.328 2.506 1.00 0.00 C ATOM 748 C VAL A 445 -2.096 -4.807 2.326 1.00 0.00 C ATOM 749 O VAL A 445 -3.095 -5.303 2.848 1.00 0.00 O ATOM 750 CB VAL A 445 -1.854 -2.973 4.003 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.792 -3.727 4.789 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.711 -1.472 4.204 1.00 0.00 C ATOM 0 H VAL A 445 -3.561 -2.283 2.170 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.763 -3.134 2.148 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.832 -3.275 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.864 -3.463 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.946 -4.800 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.196 -3.459 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.770 -1.240 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.748 -1.143 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.512 -0.956 3.675 1.00 0.00 H new ATOM 762 N GLU A 446 -1.244 -5.507 1.585 1.00 0.00 N ATOM 763 CA GLU A 446 -1.436 -6.931 1.336 1.00 0.00 C ATOM 764 C GLU A 446 -0.240 -7.737 1.831 1.00 0.00 C ATOM 765 O GLU A 446 0.910 -7.367 1.599 1.00 0.00 O ATOM 766 CB GLU A 446 -1.654 -7.184 -0.157 1.00 0.00 C ATOM 767 CG GLU A 446 -2.812 -6.397 -0.746 1.00 0.00 C ATOM 768 CD GLU A 446 -2.541 -5.935 -2.165 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.919 -6.703 -2.930 1.00 0.00 O ATOM 770 OE2 GLU A 446 -2.949 -4.807 -2.511 1.00 0.00 O ATOM 0 H GLU A 446 -0.413 -5.111 1.146 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.320 -7.254 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.742 -6.930 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.832 -8.248 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.710 -7.015 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.014 -5.530 -0.118 1.00 0.00 H new ATOM 777 N ARG A 447 -0.520 -8.843 2.515 1.00 0.00 N ATOM 778 CA ARG A 447 0.533 -9.702 3.042 1.00 0.00 C ATOM 779 C ARG A 447 0.771 -10.896 2.122 1.00 0.00 C ATOM 780 O ARG A 447 -0.151 -11.653 1.820 1.00 0.00 O ATOM 781 CB ARG A 447 0.166 -10.191 4.445 1.00 0.00 C ATOM 782 CG ARG A 447 0.543 -9.215 5.547 1.00 0.00 C ATOM 783 CD ARG A 447 0.811 -9.932 6.861 1.00 0.00 C ATOM 784 NE ARG A 447 -0.313 -9.818 7.787 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.545 -8.746 8.542 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.263 -7.696 8.482 1.00 0.00 N ATOM 787 NH2 ARG A 447 -1.589 -8.725 9.358 1.00 0.00 N ATOM 0 H ARG A 447 -1.467 -9.164 2.717 1.00 0.00 H new ATOM 0 HA ARG A 447 1.452 -9.118 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.907 -10.377 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.662 -11.144 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.429 -8.655 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.261 -8.491 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 447 1.013 -10.985 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 447 1.706 -9.517 7.324 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.958 -10.605 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.067 -7.707 7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.080 -6.878 9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -2.214 -9.530 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -1.768 -7.904 9.937 1.00 0.00 H new ATOM 801 N ALA A 448 2.014 -11.057 1.680 1.00 0.00 N ATOM 802 CA ALA A 448 2.372 -12.159 0.794 1.00 0.00 C ATOM 803 C ALA A 448 2.334 -13.493 1.532 1.00 0.00 C ATOM 804 O ALA A 448 3.195 -13.775 2.367 1.00 0.00 O ATOM 805 CB ALA A 448 3.749 -11.926 0.193 1.00 0.00 C ATOM 0 H ALA A 448 2.789 -10.439 1.920 1.00 0.00 H new ATOM 0 HA ALA A 448 1.638 -12.198 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 448 4.004 -12.756 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.744 -10.997 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.488 -11.857 0.992 1.00 0.00 H new ATOM 811 N ALA A 449 1.330 -14.307 1.221 1.00 0.00 N ATOM 812 CA ALA A 449 1.178 -15.611 1.855 1.00 0.00 C ATOM 813 C ALA A 449 2.096 -16.645 1.212 1.00 0.00 C ATOM 814 O ALA A 449 2.887 -17.297 1.895 1.00 0.00 O ATOM 815 CB ALA A 449 -0.271 -16.069 1.777 1.00 0.00 C ATOM 0 H ALA A 449 0.610 -14.086 0.534 1.00 0.00 H new ATOM 0 HA ALA A 449 1.462 -15.513 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.371 -17.044 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.909 -15.348 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.573 -16.144 0.732 1.00 0.00 H new ATOM 821 N THR A 450 1.988 -16.790 -0.106 1.00 0.00 N ATOM 822 CA THR A 450 2.811 -17.745 -0.841 1.00 0.00 C ATOM 823 C THR A 450 4.294 -17.498 -0.588 1.00 0.00 C ATOM 824 O THR A 450 5.056 -18.431 -0.332 1.00 0.00 O ATOM 825 CB THR A 450 2.539 -17.673 -2.353 1.00 0.00 C ATOM 826 OG1 THR A 450 3.031 -16.435 -2.883 1.00 0.00 O ATOM 827 CG2 THR A 450 1.051 -17.798 -2.644 1.00 0.00 C ATOM 0 H THR A 450 1.339 -16.259 -0.686 1.00 0.00 H new ATOM 0 HA THR A 450 2.544 -18.738 -0.480 1.00 0.00 H new ATOM 0 HB THR A 450 3.057 -18.504 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.855 -16.399 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 450 0.885 -17.744 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 450 0.686 -18.754 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 450 0.515 -16.986 -2.153 1.00 0.00 H new ATOM 835 N ASP A 451 4.696 -16.234 -0.660 1.00 0.00 N ATOM 836 CA ASP A 451 6.087 -15.859 -0.436 1.00 0.00 C ATOM 837 C ASP A 451 6.503 -16.168 1.002 1.00 0.00 C ATOM 838 O ASP A 451 5.656 -16.286 1.888 1.00 0.00 O ATOM 839 CB ASP A 451 6.286 -14.370 -0.733 1.00 0.00 C ATOM 840 CG ASP A 451 7.233 -14.132 -1.894 1.00 0.00 C ATOM 841 OD1 ASP A 451 7.093 -14.822 -2.925 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.115 -13.257 -1.770 1.00 0.00 O ATOM 0 H ASP A 451 4.078 -15.451 -0.872 1.00 0.00 H new ATOM 0 HA ASP A 451 6.714 -16.442 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.321 -13.915 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.674 -13.874 0.156 1.00 0.00 H new ATOM 847 N PRO A 452 7.816 -16.305 1.255 1.00 0.00 N ATOM 848 CA PRO A 452 8.337 -16.602 2.595 1.00 0.00 C ATOM 849 C PRO A 452 8.113 -15.450 3.569 1.00 0.00 C ATOM 850 O PRO A 452 9.063 -14.813 4.026 1.00 0.00 O ATOM 851 CB PRO A 452 9.832 -16.821 2.357 1.00 0.00 C ATOM 852 CG PRO A 452 10.130 -16.064 1.112 1.00 0.00 C ATOM 853 CD PRO A 452 8.899 -16.182 0.260 1.00 0.00 C ATOM 0 HA PRO A 452 7.837 -17.459 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.424 -16.454 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.064 -17.880 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.355 -15.021 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.000 -16.477 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.764 -15.308 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.944 -17.051 -0.396 1.00 0.00 H new ATOM 861 N LYS A 453 6.848 -15.186 3.879 1.00 0.00 N ATOM 862 CA LYS A 453 6.490 -14.110 4.796 1.00 0.00 C ATOM 863 C LYS A 453 6.943 -12.760 4.252 1.00 0.00 C ATOM 864 O LYS A 453 7.993 -12.244 4.635 1.00 0.00 O ATOM 865 CB LYS A 453 7.112 -14.352 6.174 1.00 0.00 C ATOM 866 CG LYS A 453 6.399 -15.422 6.984 1.00 0.00 C ATOM 867 CD LYS A 453 4.916 -15.117 7.133 1.00 0.00 C ATOM 868 CE LYS A 453 4.065 -16.055 6.292 1.00 0.00 C ATOM 869 NZ LYS A 453 2.984 -15.326 5.572 1.00 0.00 N ATOM 0 H LYS A 453 6.052 -15.704 3.507 1.00 0.00 H new ATOM 0 HA LYS A 453 5.404 -14.098 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.156 -14.640 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.105 -13.418 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.525 -16.390 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 453 6.856 -15.497 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.629 -15.205 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.724 -14.086 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 453 4.698 -16.571 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 453 3.624 -16.818 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 2.255 -16.001 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 2.558 -14.622 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 3.383 -14.846 4.741 1.00 0.00 H new ATOM 883 N ALA A 454 6.142 -12.192 3.354 1.00 0.00 N ATOM 884 CA ALA A 454 6.461 -10.900 2.756 1.00 0.00 C ATOM 885 C ALA A 454 5.317 -9.911 2.943 1.00 0.00 C ATOM 886 O ALA A 454 4.181 -10.302 3.210 1.00 0.00 O ATOM 887 CB ALA A 454 6.781 -11.071 1.277 1.00 0.00 C ATOM 0 H ALA A 454 5.269 -12.606 3.026 1.00 0.00 H new ATOM 0 HA ALA A 454 7.338 -10.497 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 454 7.017 -10.100 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.636 -11.737 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.919 -11.498 0.765 1.00 0.00 H new ATOM 893 N VAL A 455 5.625 -8.625 2.805 1.00 0.00 N ATOM 894 CA VAL A 455 4.624 -7.577 2.959 1.00 0.00 C ATOM 895 C VAL A 455 4.641 -6.621 1.771 1.00 0.00 C ATOM 896 O VAL A 455 5.507 -5.752 1.674 1.00 0.00 O ATOM 897 CB VAL A 455 4.847 -6.773 4.253 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.684 -5.824 4.499 1.00 0.00 C ATOM 899 CG2 VAL A 455 5.042 -7.708 5.437 1.00 0.00 C ATOM 0 H VAL A 455 6.561 -8.284 2.587 1.00 0.00 H new ATOM 0 HA VAL A 455 3.654 -8.072 3.010 1.00 0.00 H new ATOM 0 HB VAL A 455 5.753 -6.178 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.859 -5.264 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.597 -5.130 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.761 -6.396 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.198 -7.121 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.157 -8.332 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.911 -8.342 5.261 1.00 0.00 H new ATOM 909 N VAL A 456 3.678 -6.786 0.871 1.00 0.00 N ATOM 910 CA VAL A 456 3.582 -5.937 -0.310 1.00 0.00 C ATOM 911 C VAL A 456 2.613 -4.782 -0.078 1.00 0.00 C ATOM 912 O VAL A 456 1.627 -4.921 0.645 1.00 0.00 O ATOM 913 CB VAL A 456 3.128 -6.741 -1.545 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.753 -7.351 -1.314 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.129 -5.863 -2.788 1.00 0.00 C ATOM 0 H VAL A 456 2.953 -7.500 0.937 1.00 0.00 H new ATOM 0 HA VAL A 456 4.579 -5.537 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 456 3.837 -7.554 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.452 -7.914 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.791 -8.019 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.030 -6.557 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.806 -6.449 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.447 -5.026 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.136 -5.484 -2.965 1.00 0.00 H new ATOM 925 N THR A 457 2.899 -3.641 -0.697 1.00 0.00 N ATOM 926 CA THR A 457 2.053 -2.463 -0.557 1.00 0.00 C ATOM 927 C THR A 457 2.002 -1.666 -1.856 1.00 0.00 C ATOM 928 O THR A 457 2.975 -1.622 -2.609 1.00 0.00 O ATOM 929 CB THR A 457 2.549 -1.545 0.575 1.00 0.00 C ATOM 930 OG1 THR A 457 2.906 -2.327 1.720 1.00 0.00 O ATOM 931 CG2 THR A 457 1.479 -0.533 0.959 1.00 0.00 C ATOM 0 H THR A 457 3.711 -3.508 -1.300 1.00 0.00 H new ATOM 0 HA THR A 457 1.053 -2.820 -0.312 1.00 0.00 H new ATOM 0 HB THR A 457 3.426 -1.005 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.222 -1.735 2.435 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.852 0.105 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.231 0.081 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.587 -1.058 1.299 1.00 0.00 H new ATOM 939 N THR A 458 0.861 -1.035 -2.112 1.00 0.00 N ATOM 940 CA THR A 458 0.682 -0.238 -3.320 1.00 0.00 C ATOM 941 C THR A 458 0.137 1.148 -2.990 1.00 0.00 C ATOM 942 O THR A 458 -1.002 1.288 -2.547 1.00 0.00 O ATOM 943 CB THR A 458 -0.272 -0.927 -4.311 1.00 0.00 C ATOM 944 OG1 THR A 458 0.112 -2.296 -4.491 1.00 0.00 O ATOM 945 CG2 THR A 458 -0.262 -0.214 -5.656 1.00 0.00 C ATOM 0 H THR A 458 0.046 -1.060 -1.499 1.00 0.00 H new ATOM 0 HA THR A 458 1.665 -0.139 -3.781 1.00 0.00 H new ATOM 0 HB THR A 458 -1.280 -0.883 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.501 -2.728 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.944 -0.719 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.581 0.820 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 458 0.746 -0.232 -6.070 1.00 0.00 H new ATOM 953 N TYR A 459 0.960 2.168 -3.210 1.00 0.00 N ATOM 954 CA TYR A 459 0.561 3.545 -2.937 1.00 0.00 C ATOM 955 C TYR A 459 0.026 4.214 -4.198 1.00 0.00 C ATOM 956 O TYR A 459 0.492 3.942 -5.304 1.00 0.00 O ATOM 957 CB TYR A 459 1.743 4.340 -2.384 1.00 0.00 C ATOM 958 CG TYR A 459 1.798 4.377 -0.874 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.287 3.294 -0.150 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.362 5.492 -0.170 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.339 3.325 1.230 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.413 5.529 1.211 1.00 0.00 C ATOM 963 CZ TYR A 459 1.902 4.443 1.905 1.00 0.00 C ATOM 964 OH TYR A 459 1.952 4.476 3.280 1.00 0.00 O ATOM 0 H TYR A 459 1.907 2.068 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.234 3.527 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.669 3.907 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.691 5.361 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.631 2.415 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 459 0.977 6.344 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 459 2.721 2.476 1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.071 6.404 1.743 1.00 0.00 H new ATOM 0 HH TYR A 459 1.608 5.336 3.599 1.00 0.00 H new ATOM 974 N GLU A 460 -0.958 5.092 -4.025 1.00 0.00 N ATOM 975 CA GLU A 460 -1.556 5.801 -5.149 1.00 0.00 C ATOM 976 C GLU A 460 -1.894 7.238 -4.770 1.00 0.00 C ATOM 977 O GLU A 460 -2.788 7.483 -3.959 1.00 0.00 O ATOM 978 CB GLU A 460 -2.816 5.075 -5.625 1.00 0.00 C ATOM 979 CG GLU A 460 -2.529 3.844 -6.468 1.00 0.00 C ATOM 980 CD GLU A 460 -2.781 4.077 -7.945 1.00 0.00 C ATOM 981 OE1 GLU A 460 -2.083 4.926 -8.538 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.674 3.412 -8.507 1.00 0.00 O ATOM 0 H GLU A 460 -1.357 5.329 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.829 5.822 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.405 4.781 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.427 5.767 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.491 3.543 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.152 3.019 -6.123 1.00 0.00 H new ATOM 989 N GLY A 461 -1.175 8.186 -5.363 1.00 0.00 N ATOM 990 CA GLY A 461 -1.415 9.587 -5.074 1.00 0.00 C ATOM 991 C GLY A 461 -0.354 10.183 -4.170 1.00 0.00 C ATOM 992 O GLY A 461 0.338 9.459 -3.454 1.00 0.00 O ATOM 0 H GLY A 461 -0.431 8.009 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.448 10.147 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.392 9.695 -4.603 1.00 0.00 H new ATOM 996 N LYS A 462 -0.225 11.505 -4.202 1.00 0.00 N ATOM 997 CA LYS A 462 0.759 12.198 -3.378 1.00 0.00 C ATOM 998 C LYS A 462 0.084 12.929 -2.222 1.00 0.00 C ATOM 999 O LYS A 462 -1.135 13.101 -2.210 1.00 0.00 O ATOM 1000 CB LYS A 462 1.556 13.191 -4.228 1.00 0.00 C ATOM 1001 CG LYS A 462 2.386 12.529 -5.316 1.00 0.00 C ATOM 1002 CD LYS A 462 2.191 13.209 -6.663 1.00 0.00 C ATOM 1003 CE LYS A 462 3.510 13.386 -7.400 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.932 14.813 -7.452 1.00 0.00 N ATOM 0 H LYS A 462 -0.790 12.118 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 462 1.439 11.453 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.866 13.899 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.216 13.766 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.440 12.562 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.110 11.478 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.509 12.617 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 462 1.723 14.182 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.283 12.797 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.413 12.999 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 4.835 14.890 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 3.207 15.372 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 4.050 15.176 -6.484 1.00 0.00 H new ATOM 1018 N HIS A 463 0.884 13.355 -1.250 1.00 0.00 N ATOM 1019 CA HIS A 463 0.365 14.068 -0.089 1.00 0.00 C ATOM 1020 C HIS A 463 0.322 15.571 -0.348 1.00 0.00 C ATOM 1021 O HIS A 463 1.241 16.135 -0.941 1.00 0.00 O ATOM 1022 CB HIS A 463 1.224 13.774 1.143 1.00 0.00 C ATOM 1023 CG HIS A 463 1.131 12.354 1.611 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.042 11.855 2.292 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.002 11.322 1.492 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.244 10.580 2.574 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.425 10.233 2.098 1.00 0.00 N ATOM 0 H HIS A 463 1.895 13.219 -1.244 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.652 13.720 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.264 14.006 0.914 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.921 14.436 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.968 11.351 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.440 9.933 3.103 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.842 9.305 2.169 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.753 16.213 0.101 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.914 17.652 -0.084 1.00 0.00 C ATOM 1037 C ASN A 464 -0.876 18.383 1.255 1.00 0.00 C ATOM 1038 O ASN A 464 -1.554 19.393 1.440 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.232 17.949 -0.801 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.096 17.892 -2.310 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.487 16.971 -2.856 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.662 18.879 -2.993 1.00 0.00 N ATOM 0 H ASN A 464 -1.523 15.761 0.594 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.085 18.009 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.987 17.231 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.587 18.937 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.602 18.895 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.157 19.622 -2.500 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.079 17.867 2.184 1.00 0.00 N ATOM 1050 CA HIS A 465 0.048 18.474 3.503 1.00 0.00 C ATOM 1051 C HIS A 465 1.401 18.146 4.126 1.00 0.00 C ATOM 1052 O HIS A 465 2.007 17.122 3.814 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.079 17.994 4.420 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.171 16.504 4.525 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.962 15.817 5.703 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.456 15.566 3.591 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.110 14.522 5.488 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.412 14.344 4.215 1.00 0.00 N ATOM 0 H HIS A 465 0.488 17.030 2.048 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.025 19.555 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.929 18.412 5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.028 18.383 4.051 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.729 16.243 6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.677 15.746 2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -1.002 13.742 6.227 1.00 0.00 H new