USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 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+ -154:sc= -0.0381 (180deg=-0.357) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0.05 USER MOD Set 2.1: A 434 CYS SG : rot -86:sc= 0.366 USER MOD Set 2.2: A 436 THR OG1 : rot -93:sc= 0.442 USER MOD Set 2.3: A 439 CYS SG : rot -129:sc= -2.7! USER MOD Set 2.4: A 463 HIS : no HD1:sc= 0 K(o=-1.9,f=-2.9) USER MOD Set 2.5: A 465 HIS :FLIP no HD1:sc= 0.0044 F(o=-2.9,f=-1.9) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000261) USER MOD Single : A 417 TYR OH : rot 180:sc= -0.913 USER MOD Single : A 419 GLN : amide:sc= -0.455 K(o=-0.45,f=-3!) 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= -1.28 K(o=-1.3,f=-4.2!) 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 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 180:sc= 0 USER MOD Single : A 444 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.16) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 113:sc= 0.162 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.492 10.325 8.360 1.00 0.00 N ATOM 186 CA TYR A 412 0.265 10.576 7.614 1.00 0.00 C ATOM 187 C TYR A 412 -0.944 10.008 8.348 1.00 0.00 C ATOM 188 O TYR A 412 -0.810 9.126 9.197 1.00 0.00 O ATOM 189 CB TYR A 412 0.357 9.965 6.216 1.00 0.00 C ATOM 190 CG TYR A 412 1.640 10.297 5.488 1.00 0.00 C ATOM 191 CD1 TYR A 412 2.186 11.574 5.546 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.308 9.334 4.741 1.00 0.00 C ATOM 193 CE1 TYR A 412 3.359 11.881 4.882 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.480 9.631 4.073 1.00 0.00 C ATOM 195 CZ TYR A 412 4.001 10.906 4.147 1.00 0.00 C ATOM 196 OH TYR A 412 5.168 11.208 3.484 1.00 0.00 O ATOM 0 HA TYR A 412 0.141 11.655 7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.266 8.882 6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.488 10.313 5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 412 1.685 12.340 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.903 8.335 4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 412 3.770 12.878 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.985 8.870 3.497 1.00 0.00 H new ATOM 0 HH TYR A 412 5.493 10.411 3.015 1.00 0.00 H new ATOM 206 N ARG A 413 -2.126 10.518 8.015 1.00 0.00 N ATOM 207 CA ARG A 413 -3.361 10.060 8.641 1.00 0.00 C ATOM 208 C ARG A 413 -4.182 9.219 7.669 1.00 0.00 C ATOM 209 O ARG A 413 -4.772 9.743 6.726 1.00 0.00 O ATOM 210 CB ARG A 413 -4.187 11.254 9.122 1.00 0.00 C ATOM 211 CG ARG A 413 -3.789 11.758 10.499 1.00 0.00 C ATOM 212 CD ARG A 413 -3.996 13.260 10.626 1.00 0.00 C ATOM 213 NE ARG A 413 -5.179 13.584 11.420 1.00 0.00 N ATOM 214 CZ ARG A 413 -6.421 13.584 10.938 1.00 0.00 C ATOM 215 NH1 ARG A 413 -6.649 13.284 9.665 1.00 0.00 N ATOM 216 NH2 ARG A 413 -7.438 13.891 11.730 1.00 0.00 N ATOM 0 H ARG A 413 -2.254 11.249 7.315 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.097 9.441 9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.085 12.068 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.240 10.973 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.376 11.243 11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -2.743 11.517 10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -3.116 13.710 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -4.095 13.698 9.633 1.00 0.00 H new ATOM 0 HE ARG A 413 -5.046 13.825 12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.870 13.051 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -7.603 13.286 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -7.270 14.127 12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -8.389 13.891 11.362 1.00 0.00 H new ATOM 230 N TRP A 414 -4.213 7.911 7.905 1.00 0.00 N ATOM 231 CA TRP A 414 -4.962 7.000 7.047 1.00 0.00 C ATOM 232 C TRP A 414 -6.256 6.552 7.721 1.00 0.00 C ATOM 233 O TRP A 414 -6.491 6.846 8.893 1.00 0.00 O ATOM 234 CB TRP A 414 -4.110 5.778 6.697 1.00 0.00 C ATOM 235 CG TRP A 414 -2.763 6.130 6.144 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.628 6.390 6.857 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.408 6.259 4.763 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.589 6.673 6.004 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.044 6.599 4.713 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.113 6.119 3.564 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.370 6.802 3.510 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.443 6.320 2.371 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.084 6.658 2.352 1.00 0.00 C ATOM 0 H TRP A 414 -3.729 7.459 8.681 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.216 7.534 6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.979 5.168 7.591 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.645 5.168 5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.557 6.375 7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.365 6.901 6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.161 5.859 3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.678 7.063 3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.977 6.215 1.438 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.590 6.808 1.404 1.00 0.00 H new ATOM 254 N ARG A 415 -7.088 5.839 6.970 1.00 0.00 N ATOM 255 CA ARG A 415 -8.359 5.347 7.487 1.00 0.00 C ATOM 256 C ARG A 415 -8.879 4.195 6.634 1.00 0.00 C ATOM 257 O ARG A 415 -8.568 4.100 5.447 1.00 0.00 O ATOM 258 CB ARG A 415 -9.388 6.478 7.531 1.00 0.00 C ATOM 259 CG ARG A 415 -9.975 6.716 8.913 1.00 0.00 C ATOM 260 CD ARG A 415 -9.054 7.570 9.770 1.00 0.00 C ATOM 261 NE ARG A 415 -9.794 8.561 10.547 1.00 0.00 N ATOM 262 CZ ARG A 415 -9.235 9.631 11.109 1.00 0.00 C ATOM 263 NH1 ARG A 415 -7.932 9.849 10.984 1.00 0.00 N ATOM 264 NH2 ARG A 415 -9.981 10.483 11.799 1.00 0.00 N ATOM 0 H ARG A 415 -6.904 5.588 5.999 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.197 4.979 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.919 7.398 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.197 6.249 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.944 7.206 8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.149 5.759 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -8.489 6.928 10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -8.330 8.077 9.131 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.798 8.425 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -7.354 9.196 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -7.509 10.670 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -10.983 10.319 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -9.553 11.303 12.230 1.00 0.00 H new ATOM 278 N LYS A 416 -9.674 3.323 7.244 1.00 0.00 N ATOM 279 CA LYS A 416 -10.235 2.179 6.538 1.00 0.00 C ATOM 280 C LYS A 416 -11.569 2.536 5.890 1.00 0.00 C ATOM 281 O LYS A 416 -12.358 3.297 6.450 1.00 0.00 O ATOM 282 CB LYS A 416 -10.420 0.999 7.495 1.00 0.00 C ATOM 283 CG LYS A 416 -10.487 -0.348 6.792 1.00 0.00 C ATOM 284 CD LYS A 416 -9.397 -1.289 7.281 1.00 0.00 C ATOM 285 CE LYS A 416 -9.897 -2.184 8.404 1.00 0.00 C ATOM 286 NZ LYS A 416 -9.987 -1.452 9.697 1.00 0.00 N ATOM 0 H LYS A 416 -9.944 3.387 8.226 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.535 1.894 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.596 0.987 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.335 1.147 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.464 -0.801 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -10.388 -0.203 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.047 -1.904 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -8.543 -0.708 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -10.878 -2.581 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -9.227 -3.036 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.315 -2.100 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.050 -1.080 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -10.659 -0.664 9.604 1.00 0.00 H new ATOM 300 N TYR A 417 -11.814 1.982 4.708 1.00 0.00 N ATOM 301 CA TYR A 417 -13.052 2.239 3.982 1.00 0.00 C ATOM 302 C TYR A 417 -13.602 0.953 3.373 1.00 0.00 C ATOM 303 O TYR A 417 -14.793 0.662 3.483 1.00 0.00 O ATOM 304 CB TYR A 417 -12.818 3.277 2.884 1.00 0.00 C ATOM 305 CG TYR A 417 -11.826 2.835 1.832 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.464 2.803 2.103 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.252 2.445 0.568 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.554 2.399 1.144 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.349 2.038 -0.395 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.002 2.017 -0.103 1.00 0.00 C ATOM 311 OH TYR A 417 -9.100 1.612 -1.060 1.00 0.00 O ATOM 0 H TYR A 417 -11.170 1.351 4.231 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.785 2.628 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.769 3.504 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.463 4.201 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -10.110 3.099 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.306 2.460 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.498 2.383 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.697 1.738 -1.372 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.579 1.376 -1.882 1.00 0.00 H new ATOM 321 N GLY A 418 -12.725 0.186 2.733 1.00 0.00 N ATOM 322 CA GLY A 418 -13.141 -1.060 2.116 1.00 0.00 C ATOM 323 C GLY A 418 -12.151 -2.183 2.356 1.00 0.00 C ATOM 324 O GLY A 418 -10.983 -1.934 2.660 1.00 0.00 O ATOM 0 H GLY A 418 -11.734 0.405 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.116 -1.349 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.261 -0.909 1.043 1.00 0.00 H new ATOM 328 N GLN A 419 -12.615 -3.419 2.223 1.00 0.00 N ATOM 329 CA GLN A 419 -11.760 -4.583 2.427 1.00 0.00 C ATOM 330 C GLN A 419 -12.222 -5.757 1.570 1.00 0.00 C ATOM 331 O GLN A 419 -13.410 -5.902 1.285 1.00 0.00 O ATOM 332 CB GLN A 419 -11.757 -4.986 3.903 1.00 0.00 C ATOM 333 CG GLN A 419 -13.141 -5.294 4.452 1.00 0.00 C ATOM 334 CD GLN A 419 -13.407 -6.783 4.557 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.434 -7.493 3.552 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.604 -7.264 5.780 1.00 0.00 N ATOM 0 H GLN A 419 -13.579 -3.642 1.975 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.747 -4.315 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.121 -5.862 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.313 -4.182 4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.247 -4.839 5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.893 -4.839 3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.573 -6.639 6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.786 -8.259 5.914 1.00 0.00 H new ATOM 345 N LYS A 420 -11.272 -6.593 1.160 1.00 0.00 N ATOM 346 CA LYS A 420 -11.580 -7.754 0.334 1.00 0.00 C ATOM 347 C LYS A 420 -11.082 -9.037 0.995 1.00 0.00 C ATOM 348 O LYS A 420 -10.554 -9.009 2.107 1.00 0.00 O ATOM 349 CB LYS A 420 -10.950 -7.604 -1.051 1.00 0.00 C ATOM 350 CG LYS A 420 -11.857 -6.919 -2.061 1.00 0.00 C ATOM 351 CD LYS A 420 -11.309 -7.038 -3.474 1.00 0.00 C ATOM 352 CE LYS A 420 -11.544 -8.425 -4.048 1.00 0.00 C ATOM 353 NZ LYS A 420 -12.685 -8.444 -5.006 1.00 0.00 N ATOM 0 H LYS A 420 -10.283 -6.487 1.387 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.663 -7.816 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -10.025 -7.034 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.681 -8.591 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.852 -7.362 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -11.965 -5.866 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -11.784 -6.293 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -10.241 -6.821 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -10.640 -8.767 -4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.740 -9.125 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -12.812 -9.408 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -13.553 -8.142 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -12.487 -7.795 -5.794 1.00 0.00 H new ATOM 367 N VAL A 421 -11.255 -10.159 0.304 1.00 0.00 N ATOM 368 CA VAL A 421 -10.824 -11.450 0.825 1.00 0.00 C ATOM 369 C VAL A 421 -10.042 -12.234 -0.226 1.00 0.00 C ATOM 370 O VAL A 421 -10.203 -12.012 -1.425 1.00 0.00 O ATOM 371 CB VAL A 421 -12.025 -12.293 1.298 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.977 -12.570 0.144 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.551 -13.595 1.931 1.00 0.00 C ATOM 0 H VAL A 421 -11.690 -10.200 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.175 -11.249 1.677 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.565 -11.723 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.817 -13.166 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.346 -11.626 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.451 -13.116 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.414 -14.176 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.983 -14.170 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.917 -13.373 2.789 1.00 0.00 H new ATOM 383 N VAL A 422 -9.195 -13.149 0.235 1.00 0.00 N ATOM 384 CA VAL A 422 -8.389 -13.966 -0.665 1.00 0.00 C ATOM 385 C VAL A 422 -8.602 -15.451 -0.394 1.00 0.00 C ATOM 386 O VAL A 422 -8.794 -15.864 0.748 1.00 0.00 O ATOM 387 CB VAL A 422 -6.888 -13.643 -0.530 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.094 -14.318 -1.637 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.660 -12.137 -0.537 1.00 0.00 C ATOM 0 H VAL A 422 -9.049 -13.343 1.226 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.712 -13.731 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.536 -14.033 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.037 -14.078 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.230 -15.398 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.446 -13.963 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.594 -11.930 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.028 -11.718 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.194 -11.684 0.298 1.00 0.00 H new ATOM 399 N LYS A 423 -8.567 -16.251 -1.456 1.00 0.00 N ATOM 400 CA LYS A 423 -8.755 -17.693 -1.332 1.00 0.00 C ATOM 401 C LYS A 423 -7.418 -18.402 -1.136 1.00 0.00 C ATOM 402 O LYS A 423 -6.616 -18.505 -2.064 1.00 0.00 O ATOM 403 CB LYS A 423 -9.463 -18.244 -2.570 1.00 0.00 C ATOM 404 CG LYS A 423 -8.654 -18.102 -3.849 1.00 0.00 C ATOM 405 CD LYS A 423 -9.531 -18.247 -5.084 1.00 0.00 C ATOM 406 CE LYS A 423 -9.415 -19.636 -5.692 1.00 0.00 C ATOM 407 NZ LYS A 423 -10.751 -20.225 -5.989 1.00 0.00 N ATOM 0 H LYS A 423 -8.411 -15.926 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.375 -17.880 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -9.690 -19.298 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -10.415 -17.728 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -8.162 -17.129 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -7.868 -18.857 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.570 -18.051 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -9.245 -17.500 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -8.829 -19.583 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.875 -20.289 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -10.629 -21.172 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -11.301 -20.299 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -11.257 -19.616 -6.663 1.00 0.00 H new ATOM 421 N GLY A 424 -7.186 -18.891 0.079 1.00 0.00 N ATOM 422 CA GLY A 424 -5.946 -19.583 0.375 1.00 0.00 C ATOM 423 C GLY A 424 -5.082 -18.830 1.368 1.00 0.00 C ATOM 424 O GLY A 424 -4.508 -19.426 2.278 1.00 0.00 O ATOM 0 H GLY A 424 -7.835 -18.820 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.172 -20.572 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.387 -19.731 -0.549 1.00 0.00 H new ATOM 428 N ASN A 425 -4.988 -17.517 1.190 1.00 0.00 N ATOM 429 CA ASN A 425 -4.186 -16.681 2.077 1.00 0.00 C ATOM 430 C ASN A 425 -4.886 -16.485 3.420 1.00 0.00 C ATOM 431 O ASN A 425 -6.103 -16.309 3.474 1.00 0.00 O ATOM 432 CB ASN A 425 -3.913 -15.325 1.426 1.00 0.00 C ATOM 433 CG ASN A 425 -3.278 -15.457 0.056 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.196 -16.552 -0.500 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.824 -14.337 -0.497 1.00 0.00 N ATOM 0 H ASN A 425 -5.457 -17.008 0.440 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.237 -17.187 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.849 -14.773 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.258 -14.741 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.387 -14.364 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.913 -13.451 -0.000 1.00 0.00 H new ATOM 442 N PRO A 426 -4.124 -16.510 4.529 1.00 0.00 N ATOM 443 CA PRO A 426 -4.681 -16.332 5.871 1.00 0.00 C ATOM 444 C PRO A 426 -5.008 -14.875 6.177 1.00 0.00 C ATOM 445 O PRO A 426 -6.043 -14.571 6.772 1.00 0.00 O ATOM 446 CB PRO A 426 -3.558 -16.829 6.779 1.00 0.00 C ATOM 447 CG PRO A 426 -2.309 -16.549 6.016 1.00 0.00 C ATOM 448 CD PRO A 426 -2.661 -16.712 4.560 1.00 0.00 C ATOM 0 HA PRO A 426 -5.624 -16.864 5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.563 -16.309 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.662 -17.893 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.947 -15.541 6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.514 -17.237 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.143 -15.982 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.385 -17.699 4.189 1.00 0.00 H new ATOM 456 N TYR A 427 -4.120 -13.974 5.768 1.00 0.00 N ATOM 457 CA TYR A 427 -4.313 -12.548 5.999 1.00 0.00 C ATOM 458 C TYR A 427 -5.183 -11.930 4.904 1.00 0.00 C ATOM 459 O TYR A 427 -4.771 -11.853 3.748 1.00 0.00 O ATOM 460 CB TYR A 427 -2.961 -11.832 6.053 1.00 0.00 C ATOM 461 CG TYR A 427 -1.998 -12.430 7.053 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.261 -12.382 8.415 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.825 -13.044 6.633 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.382 -12.926 9.332 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.060 -13.592 7.543 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.224 -13.531 8.891 1.00 0.00 C ATOM 467 OH TYR A 427 0.654 -14.074 9.801 1.00 0.00 O ATOM 0 H TYR A 427 -3.259 -14.208 5.274 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.822 -12.427 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.506 -11.858 5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.125 -10.783 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.168 -11.911 8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.600 -13.094 5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.601 -12.878 10.388 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.968 -14.065 7.200 1.00 0.00 H new ATOM 0 HH TYR A 427 1.418 -14.462 9.326 1.00 0.00 H new ATOM 477 N PRO A 428 -6.402 -11.478 5.253 1.00 0.00 N ATOM 478 CA PRO A 428 -7.322 -10.865 4.286 1.00 0.00 C ATOM 479 C PRO A 428 -6.686 -9.693 3.546 1.00 0.00 C ATOM 480 O PRO A 428 -5.479 -9.469 3.641 1.00 0.00 O ATOM 481 CB PRO A 428 -8.487 -10.381 5.151 1.00 0.00 C ATOM 482 CG PRO A 428 -8.436 -11.232 6.372 1.00 0.00 C ATOM 483 CD PRO A 428 -6.982 -11.526 6.609 1.00 0.00 C ATOM 0 HA PRO A 428 -7.619 -11.568 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.382 -9.325 5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.438 -10.493 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.874 -10.716 7.226 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -9.003 -12.152 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.525 -10.789 7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.839 -12.502 7.074 1.00 0.00 H new ATOM 491 N ARG A 429 -7.505 -8.949 2.811 1.00 0.00 N ATOM 492 CA ARG A 429 -7.023 -7.796 2.057 1.00 0.00 C ATOM 493 C ARG A 429 -7.703 -6.513 2.528 1.00 0.00 C ATOM 494 O ARG A 429 -8.895 -6.312 2.297 1.00 0.00 O ATOM 495 CB ARG A 429 -7.268 -8.001 0.560 1.00 0.00 C ATOM 496 CG ARG A 429 -6.034 -8.459 -0.200 1.00 0.00 C ATOM 497 CD ARG A 429 -6.374 -8.860 -1.627 1.00 0.00 C ATOM 498 NE ARG A 429 -5.368 -8.395 -2.579 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.142 -8.968 -3.761 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.853 -10.019 -4.146 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.202 -8.482 -4.561 1.00 0.00 N ATOM 0 H ARG A 429 -8.506 -9.123 2.721 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.951 -7.700 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.061 -8.737 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.625 -7.067 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.295 -7.658 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.579 -9.304 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.458 -9.945 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -7.347 -8.449 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.805 -7.584 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.579 -10.395 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -5.674 -10.452 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.654 -7.672 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.027 -8.919 -5.466 1.00 0.00 H new ATOM 515 N SER A 430 -6.936 -5.651 3.186 1.00 0.00 N ATOM 516 CA SER A 430 -7.463 -4.388 3.687 1.00 0.00 C ATOM 517 C SER A 430 -7.108 -3.241 2.747 1.00 0.00 C ATOM 518 O SER A 430 -6.178 -3.345 1.948 1.00 0.00 O ATOM 519 CB SER A 430 -6.917 -4.103 5.087 1.00 0.00 C ATOM 520 OG SER A 430 -7.605 -4.859 6.068 1.00 0.00 O ATOM 0 H SER A 430 -5.947 -5.804 3.385 1.00 0.00 H new ATOM 0 HA SER A 430 -8.549 -4.470 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.854 -4.340 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.014 -3.040 5.309 1.00 0.00 H new ATOM 0 HG SER A 430 -7.235 -4.659 6.953 1.00 0.00 H new ATOM 526 N TYR A 431 -7.856 -2.147 2.849 1.00 0.00 N ATOM 527 CA TYR A 431 -7.620 -0.980 2.006 1.00 0.00 C ATOM 528 C TYR A 431 -7.792 0.310 2.802 1.00 0.00 C ATOM 529 O TYR A 431 -8.875 0.597 3.313 1.00 0.00 O ATOM 530 CB TYR A 431 -8.576 -0.986 0.811 1.00 0.00 C ATOM 531 CG TYR A 431 -8.417 -2.194 -0.085 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.180 -2.528 -0.620 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.506 -2.999 -0.398 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.030 -3.630 -1.440 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.363 -4.103 -1.217 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.125 -4.414 -1.735 1.00 0.00 C ATOM 537 OH TYR A 431 -7.980 -5.512 -2.551 1.00 0.00 O ATOM 0 H TYR A 431 -8.630 -2.044 3.506 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.594 -1.028 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.602 -0.948 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.414 -0.083 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.320 -1.916 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.479 -2.758 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.060 -3.876 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.219 -4.720 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.076 -5.877 -2.451 1.00 0.00 H new ATOM 547 N TYR A 432 -6.716 1.085 2.902 1.00 0.00 N ATOM 548 CA TYR A 432 -6.747 2.345 3.635 1.00 0.00 C ATOM 549 C TYR A 432 -6.630 3.530 2.681 1.00 0.00 C ATOM 550 O TYR A 432 -6.480 3.352 1.471 1.00 0.00 O ATOM 551 CB TYR A 432 -5.618 2.388 4.664 1.00 0.00 C ATOM 552 CG TYR A 432 -5.613 1.206 5.608 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.156 -0.037 5.191 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.065 1.336 6.914 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.151 -1.120 6.049 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.064 0.257 7.781 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.607 -0.967 7.343 1.00 0.00 C ATOM 558 OH TYR A 432 -5.603 -2.043 8.201 1.00 0.00 O ATOM 0 H TYR A 432 -5.812 0.862 2.485 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.703 2.413 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.663 2.429 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.702 3.306 5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.799 -0.159 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.423 2.295 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.792 -2.080 5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.419 0.374 8.794 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.954 -1.767 9.073 1.00 0.00 H new ATOM 568 N LYS A 433 -6.699 4.737 3.232 1.00 0.00 N ATOM 569 CA LYS A 433 -6.601 5.949 2.427 1.00 0.00 C ATOM 570 C LYS A 433 -6.279 7.158 3.298 1.00 0.00 C ATOM 571 O LYS A 433 -6.959 7.420 4.290 1.00 0.00 O ATOM 572 CB LYS A 433 -7.907 6.187 1.666 1.00 0.00 C ATOM 573 CG LYS A 433 -9.103 6.434 2.569 1.00 0.00 C ATOM 574 CD LYS A 433 -10.375 6.653 1.766 1.00 0.00 C ATOM 575 CE LYS A 433 -11.600 6.720 2.663 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.147 8.103 2.754 1.00 0.00 N ATOM 0 H LYS A 433 -6.822 4.902 4.231 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.790 5.815 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.780 7.043 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.112 5.323 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.236 5.584 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.913 7.306 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.291 7.578 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.495 5.844 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.369 6.050 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.339 6.366 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.981 8.106 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.422 8.738 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.420 8.432 1.806 1.00 0.00 H new ATOM 590 N CYS A 434 -5.240 7.893 2.918 1.00 0.00 N ATOM 591 CA CYS A 434 -4.828 9.078 3.661 1.00 0.00 C ATOM 592 C CYS A 434 -5.885 10.172 3.559 1.00 0.00 C ATOM 593 O CYS A 434 -5.903 10.944 2.599 1.00 0.00 O ATOM 594 CB CYS A 434 -3.487 9.593 3.135 1.00 0.00 C ATOM 595 SG CYS A 434 -2.693 10.811 4.209 1.00 0.00 S ATOM 0 H CYS A 434 -4.667 7.689 2.099 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.715 8.803 4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.812 8.747 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.641 10.037 2.151 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.143 11.997 3.927 1.00 0.00 H new ATOM 600 N THR A 435 -6.765 10.229 4.553 1.00 0.00 N ATOM 601 CA THR A 435 -7.830 11.225 4.576 1.00 0.00 C ATOM 602 C THR A 435 -7.410 12.464 5.363 1.00 0.00 C ATOM 603 O THR A 435 -7.919 12.722 6.455 1.00 0.00 O ATOM 604 CB THR A 435 -9.124 10.649 5.186 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.159 11.639 5.160 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.894 10.186 6.616 1.00 0.00 C ATOM 0 H THR A 435 -6.762 9.597 5.354 1.00 0.00 H new ATOM 0 HA THR A 435 -8.022 11.508 3.541 1.00 0.00 H new ATOM 0 HB THR A 435 -9.427 9.788 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.978 11.266 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.822 9.784 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.127 9.411 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.567 11.030 7.224 1.00 0.00 H new ATOM 614 N THR A 436 -6.480 13.226 4.801 1.00 0.00 N ATOM 615 CA THR A 436 -5.994 14.440 5.448 1.00 0.00 C ATOM 616 C THR A 436 -6.662 15.679 4.854 1.00 0.00 C ATOM 617 O THR A 436 -7.214 15.628 3.755 1.00 0.00 O ATOM 618 CB THR A 436 -4.462 14.573 5.316 1.00 0.00 C ATOM 619 OG1 THR A 436 -3.922 13.416 4.667 1.00 0.00 O ATOM 620 CG2 THR A 436 -3.810 14.739 6.681 1.00 0.00 C ATOM 0 H THR A 436 -6.047 13.026 3.899 1.00 0.00 H new ATOM 0 HA THR A 436 -6.250 14.365 6.505 1.00 0.00 H new ATOM 0 HB THR A 436 -4.251 15.460 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.653 12.758 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 436 -2.731 14.831 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.198 15.636 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.033 13.869 7.299 1.00 0.00 H new ATOM 628 N PRO A 437 -6.621 16.813 5.575 1.00 0.00 N ATOM 629 CA PRO A 437 -7.228 18.065 5.111 1.00 0.00 C ATOM 630 C PRO A 437 -6.785 18.433 3.699 1.00 0.00 C ATOM 631 O PRO A 437 -5.775 19.114 3.512 1.00 0.00 O ATOM 632 CB PRO A 437 -6.724 19.099 6.119 1.00 0.00 C ATOM 633 CG PRO A 437 -6.455 18.317 7.356 1.00 0.00 C ATOM 634 CD PRO A 437 -5.985 16.964 6.897 1.00 0.00 C ATOM 0 HA PRO A 437 -8.315 17.998 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -5.823 19.596 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -7.468 19.876 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.698 18.806 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -7.354 18.231 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -4.898 16.918 6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.294 16.176 7.584 1.00 0.00 H new ATOM 642 N GLY A 438 -7.544 17.979 2.709 1.00 0.00 N ATOM 643 CA GLY A 438 -7.212 18.268 1.328 1.00 0.00 C ATOM 644 C GLY A 438 -6.540 17.099 0.634 1.00 0.00 C ATOM 645 O GLY A 438 -6.617 16.966 -0.588 1.00 0.00 O ATOM 0 H GLY A 438 -8.384 17.415 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.121 18.533 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.554 19.136 1.290 1.00 0.00 H new ATOM 649 N CYS A 439 -5.881 16.250 1.415 1.00 0.00 N ATOM 650 CA CYS A 439 -5.193 15.086 0.870 1.00 0.00 C ATOM 651 C CYS A 439 -6.146 13.904 0.732 1.00 0.00 C ATOM 652 O CYS A 439 -6.888 13.580 1.660 1.00 0.00 O ATOM 653 CB CYS A 439 -4.011 14.703 1.762 1.00 0.00 C ATOM 654 SG CYS A 439 -2.985 13.372 1.095 1.00 0.00 S ATOM 0 H CYS A 439 -5.809 16.346 2.428 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.822 15.346 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.388 15.583 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.389 14.401 2.739 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.827 12.451 1.999 1.00 0.00 H new ATOM 659 N GLY A 440 -6.121 13.262 -0.432 1.00 0.00 N ATOM 660 CA GLY A 440 -6.987 12.123 -0.671 1.00 0.00 C ATOM 661 C GLY A 440 -6.262 10.976 -1.348 1.00 0.00 C ATOM 662 O GLY A 440 -6.585 10.610 -2.479 1.00 0.00 O ATOM 0 H GLY A 440 -5.516 13.511 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.400 11.779 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.828 12.434 -1.291 1.00 0.00 H new ATOM 666 N VAL A 441 -5.278 10.408 -0.658 1.00 0.00 N ATOM 667 CA VAL A 441 -4.505 9.298 -1.204 1.00 0.00 C ATOM 668 C VAL A 441 -5.087 7.957 -0.768 1.00 0.00 C ATOM 669 O VAL A 441 -5.537 7.804 0.368 1.00 0.00 O ATOM 670 CB VAL A 441 -3.029 9.370 -0.765 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.199 8.324 -1.494 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.468 10.766 -1.001 1.00 0.00 C ATOM 0 H VAL A 441 -4.997 10.698 0.279 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.558 9.380 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.978 9.158 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.161 8.392 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.585 7.330 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.255 8.499 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.425 10.797 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.533 11.010 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.043 11.491 -0.426 1.00 0.00 H new ATOM 682 N ARG A 442 -5.077 6.988 -1.677 1.00 0.00 N ATOM 683 CA ARG A 442 -5.604 5.661 -1.385 1.00 0.00 C ATOM 684 C ARG A 442 -4.528 4.595 -1.568 1.00 0.00 C ATOM 685 O ARG A 442 -3.954 4.456 -2.648 1.00 0.00 O ATOM 686 CB ARG A 442 -6.801 5.354 -2.288 1.00 0.00 C ATOM 687 CG ARG A 442 -7.875 6.430 -2.261 1.00 0.00 C ATOM 688 CD ARG A 442 -9.026 6.049 -1.344 1.00 0.00 C ATOM 689 NE ARG A 442 -10.317 6.130 -2.024 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.971 7.270 -2.239 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.460 8.424 -1.832 1.00 0.00 N ATOM 692 NH2 ARG A 442 -12.140 7.253 -2.866 1.00 0.00 N ATOM 0 H ARG A 442 -4.710 7.097 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.929 5.648 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.450 5.228 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -7.242 4.405 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.439 7.372 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -8.252 6.594 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.874 5.035 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.031 6.708 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.742 5.263 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.561 8.442 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -10.966 9.293 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -12.536 6.368 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.643 8.125 -3.032 1.00 0.00 H new ATOM 706 N LYS A 443 -4.257 3.845 -0.503 1.00 0.00 N ATOM 707 CA LYS A 443 -3.247 2.793 -0.546 1.00 0.00 C ATOM 708 C LYS A 443 -3.876 1.424 -0.304 1.00 0.00 C ATOM 709 O LYS A 443 -5.001 1.324 0.190 1.00 0.00 O ATOM 710 CB LYS A 443 -2.160 3.058 0.498 1.00 0.00 C ATOM 711 CG LYS A 443 -2.659 2.988 1.932 1.00 0.00 C ATOM 712 CD LYS A 443 -1.535 3.232 2.928 1.00 0.00 C ATOM 713 CE LYS A 443 -1.135 1.952 3.643 1.00 0.00 C ATOM 714 NZ LYS A 443 0.329 1.900 3.913 1.00 0.00 N ATOM 0 H LYS A 443 -4.722 3.946 0.399 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.797 2.796 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.358 2.332 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.730 4.044 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.445 3.728 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.103 2.010 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.670 3.645 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.851 3.975 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.680 1.876 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -1.423 1.093 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 0.635 0.908 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.842 2.369 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 0.534 2.386 4.809 1.00 0.00 H new ATOM 728 N HIS A 444 -3.143 0.373 -0.653 1.00 0.00 N ATOM 729 CA HIS A 444 -3.627 -0.991 -0.472 1.00 0.00 C ATOM 730 C HIS A 444 -2.580 -1.851 0.229 1.00 0.00 C ATOM 731 O HIS A 444 -1.438 -1.946 -0.221 1.00 0.00 O ATOM 732 CB HIS A 444 -3.988 -1.610 -1.824 1.00 0.00 C ATOM 733 CG HIS A 444 -4.792 -0.703 -2.704 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.390 -0.331 -3.969 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.982 -0.091 -2.494 1.00 0.00 C ATOM 736 CE1 HIS A 444 -5.298 0.470 -4.500 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.273 0.630 -3.626 1.00 0.00 N ATOM 0 H HIS A 444 -2.211 0.439 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.519 -0.953 0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -3.071 -1.887 -2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.549 -2.529 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.589 -0.158 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -5.250 0.917 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -7.108 1.198 -3.768 1.00 0.00 H new ATOM 746 N VAL A 445 -2.977 -2.474 1.333 1.00 0.00 N ATOM 747 CA VAL A 445 -2.072 -3.326 2.097 1.00 0.00 C ATOM 748 C VAL A 445 -2.342 -4.800 1.818 1.00 0.00 C ATOM 749 O VAL A 445 -3.435 -5.302 2.081 1.00 0.00 O ATOM 750 CB VAL A 445 -2.199 -3.068 3.610 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.127 -3.829 4.374 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.120 -1.579 3.906 1.00 0.00 C ATOM 0 H VAL A 445 -3.919 -2.405 1.719 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.059 -3.078 1.780 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.173 -3.429 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.233 -3.634 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.237 -4.897 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.142 -3.502 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.212 -1.416 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.162 -1.190 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.929 -1.062 3.390 1.00 0.00 H new ATOM 762 N GLU A 446 -1.339 -5.490 1.284 1.00 0.00 N ATOM 763 CA GLU A 446 -1.469 -6.907 0.968 1.00 0.00 C ATOM 764 C GLU A 446 -0.350 -7.715 1.620 1.00 0.00 C ATOM 765 O GLU A 446 0.820 -7.341 1.551 1.00 0.00 O ATOM 766 CB GLU A 446 -1.449 -7.117 -0.547 1.00 0.00 C ATOM 767 CG GLU A 446 -2.366 -6.173 -1.306 1.00 0.00 C ATOM 768 CD GLU A 446 -1.769 -5.711 -2.621 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.208 -6.558 -3.348 1.00 0.00 O ATOM 770 OE2 GLU A 446 -1.863 -4.503 -2.923 1.00 0.00 O ATOM 0 H GLU A 446 -0.427 -5.090 1.061 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.423 -7.256 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.429 -6.988 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.738 -8.145 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.316 -6.672 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.582 -5.304 -0.684 1.00 0.00 H new ATOM 777 N ARG A 447 -0.721 -8.825 2.250 1.00 0.00 N ATOM 778 CA ARG A 447 0.252 -9.687 2.913 1.00 0.00 C ATOM 779 C ARG A 447 0.457 -10.979 2.128 1.00 0.00 C ATOM 780 O ARG A 447 -0.475 -11.764 1.952 1.00 0.00 O ATOM 781 CB ARG A 447 -0.207 -10.010 4.336 1.00 0.00 C ATOM 782 CG ARG A 447 0.032 -8.881 5.325 1.00 0.00 C ATOM 783 CD ARG A 447 -0.981 -8.910 6.459 1.00 0.00 C ATOM 784 NE ARG A 447 -0.416 -8.408 7.709 1.00 0.00 N ATOM 785 CZ ARG A 447 0.378 -9.122 8.502 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.703 -10.368 8.181 1.00 0.00 N ATOM 787 NH2 ARG A 447 0.848 -8.590 9.622 1.00 0.00 N ATOM 0 H ARG A 447 -1.686 -9.149 2.316 1.00 0.00 H new ATOM 0 HA ARG A 447 1.202 -9.154 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.270 -10.248 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.315 -10.902 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.039 -8.961 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.027 -7.924 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.848 -8.309 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -1.334 -9.931 6.604 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.644 -7.454 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.343 -10.784 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.312 -10.910 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.601 -7.633 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.457 -9.137 10.230 1.00 0.00 H new ATOM 801 N ALA A 448 1.681 -11.193 1.660 1.00 0.00 N ATOM 802 CA ALA A 448 2.006 -12.390 0.895 1.00 0.00 C ATOM 803 C ALA A 448 2.335 -13.559 1.818 1.00 0.00 C ATOM 804 O ALA A 448 3.232 -13.467 2.656 1.00 0.00 O ATOM 805 CB ALA A 448 3.168 -12.115 -0.049 1.00 0.00 C ATOM 0 H ALA A 448 2.464 -10.554 1.797 1.00 0.00 H new ATOM 0 HA ALA A 448 1.131 -12.663 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.400 -13.018 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.895 -11.316 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.042 -11.814 0.528 1.00 0.00 H new ATOM 811 N ALA A 449 1.602 -14.655 1.659 1.00 0.00 N ATOM 812 CA ALA A 449 1.813 -15.843 2.477 1.00 0.00 C ATOM 813 C ALA A 449 2.943 -16.705 1.923 1.00 0.00 C ATOM 814 O ALA A 449 3.563 -17.477 2.654 1.00 0.00 O ATOM 815 CB ALA A 449 0.528 -16.652 2.573 1.00 0.00 C ATOM 0 H ALA A 449 0.855 -14.745 0.970 1.00 0.00 H new ATOM 0 HA ALA A 449 2.101 -15.516 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.700 -17.536 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.253 -16.042 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 449 0.215 -16.958 1.575 1.00 0.00 H new ATOM 821 N THR A 450 3.207 -16.572 0.625 1.00 0.00 N ATOM 822 CA THR A 450 4.263 -17.341 -0.026 1.00 0.00 C ATOM 823 C THR A 450 5.590 -17.194 0.713 1.00 0.00 C ATOM 824 O THR A 450 6.366 -18.143 0.810 1.00 0.00 O ATOM 825 CB THR A 450 4.452 -16.905 -1.491 1.00 0.00 C ATOM 826 OG1 THR A 450 4.088 -15.527 -1.643 1.00 0.00 O ATOM 827 CG2 THR A 450 3.611 -17.763 -2.424 1.00 0.00 C ATOM 0 H THR A 450 2.704 -15.939 0.004 1.00 0.00 H new ATOM 0 HA THR A 450 3.953 -18.386 -0.002 1.00 0.00 H new ATOM 0 HB THR A 450 5.502 -17.034 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 450 4.213 -15.257 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 450 3.761 -17.436 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 450 3.910 -18.807 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 450 2.558 -17.662 -2.161 1.00 0.00 H new ATOM 835 N ASP A 451 5.842 -15.997 1.234 1.00 0.00 N ATOM 836 CA ASP A 451 7.073 -15.726 1.965 1.00 0.00 C ATOM 837 C ASP A 451 6.832 -15.781 3.473 1.00 0.00 C ATOM 838 O ASP A 451 5.691 -15.704 3.929 1.00 0.00 O ATOM 839 CB ASP A 451 7.633 -14.357 1.571 1.00 0.00 C ATOM 840 CG ASP A 451 9.069 -14.436 1.092 1.00 0.00 C ATOM 841 OD1 ASP A 451 9.377 -15.341 0.288 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.886 -13.594 1.521 1.00 0.00 O ATOM 0 H ASP A 451 5.209 -15.200 1.163 1.00 0.00 H new ATOM 0 HA ASP A 451 7.801 -16.495 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 451 7.014 -13.927 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.575 -13.684 2.426 1.00 0.00 H new ATOM 847 N PRO A 452 7.907 -15.914 4.268 1.00 0.00 N ATOM 848 CA PRO A 452 7.803 -15.977 5.729 1.00 0.00 C ATOM 849 C PRO A 452 6.986 -14.824 6.301 1.00 0.00 C ATOM 850 O PRO A 452 6.347 -14.961 7.345 1.00 0.00 O ATOM 851 CB PRO A 452 9.258 -15.883 6.193 1.00 0.00 C ATOM 852 CG PRO A 452 10.056 -16.406 5.049 1.00 0.00 C ATOM 853 CD PRO A 452 9.305 -16.012 3.807 1.00 0.00 C ATOM 0 HA PRO A 452 7.293 -16.881 6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.532 -14.855 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.425 -16.473 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.061 -15.983 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.166 -17.489 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.663 -15.064 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 452 9.416 -16.755 3.018 1.00 0.00 H new ATOM 861 N LYS A 453 7.010 -13.689 5.609 1.00 0.00 N ATOM 862 CA LYS A 453 6.270 -12.510 6.046 1.00 0.00 C ATOM 863 C LYS A 453 6.413 -11.376 5.036 1.00 0.00 C ATOM 864 O LYS A 453 7.168 -10.429 5.254 1.00 0.00 O ATOM 865 CB LYS A 453 6.764 -12.054 7.422 1.00 0.00 C ATOM 866 CG LYS A 453 5.889 -12.530 8.571 1.00 0.00 C ATOM 867 CD LYS A 453 5.793 -11.482 9.669 1.00 0.00 C ATOM 868 CE LYS A 453 4.439 -11.522 10.359 1.00 0.00 C ATOM 869 NZ LYS A 453 4.468 -10.830 11.677 1.00 0.00 N ATOM 0 H LYS A 453 7.534 -13.561 4.743 1.00 0.00 H new ATOM 0 HA LYS A 453 5.215 -12.776 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.779 -12.420 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.812 -10.965 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.891 -12.761 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 453 6.297 -13.453 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.582 -11.649 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.957 -10.492 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.691 -11.053 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.134 -12.559 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.526 -10.879 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.163 -11.293 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.735 -9.834 11.540 1.00 0.00 H new ATOM 883 N ALA A 454 5.682 -11.480 3.931 1.00 0.00 N ATOM 884 CA ALA A 454 5.728 -10.463 2.887 1.00 0.00 C ATOM 885 C ALA A 454 4.551 -9.500 3.007 1.00 0.00 C ATOM 886 O ALA A 454 3.406 -9.922 3.174 1.00 0.00 O ATOM 887 CB ALA A 454 5.741 -11.119 1.513 1.00 0.00 C ATOM 0 H ALA A 454 5.051 -12.257 3.736 1.00 0.00 H new ATOM 0 HA ALA A 454 6.646 -9.889 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.775 -10.349 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.618 -11.760 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.839 -11.718 1.387 1.00 0.00 H new ATOM 893 N VAL A 455 4.841 -8.206 2.923 1.00 0.00 N ATOM 894 CA VAL A 455 3.806 -7.182 3.022 1.00 0.00 C ATOM 895 C VAL A 455 3.916 -6.178 1.880 1.00 0.00 C ATOM 896 O VAL A 455 4.486 -5.100 2.040 1.00 0.00 O ATOM 897 CB VAL A 455 3.889 -6.429 4.363 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.689 -5.511 4.534 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.989 -7.409 5.521 1.00 0.00 C ATOM 0 H VAL A 455 5.784 -7.841 2.787 1.00 0.00 H new ATOM 0 HA VAL A 455 2.846 -7.694 2.960 1.00 0.00 H new ATOM 0 HB VAL A 455 4.790 -5.815 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.764 -4.987 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.668 -4.785 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.773 -6.102 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.047 -6.858 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.109 -8.052 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.883 -8.021 5.404 1.00 0.00 H new ATOM 909 N VAL A 456 3.361 -6.540 0.727 1.00 0.00 N ATOM 910 CA VAL A 456 3.396 -5.670 -0.442 1.00 0.00 C ATOM 911 C VAL A 456 2.302 -4.607 -0.366 1.00 0.00 C ATOM 912 O VAL A 456 1.115 -4.927 -0.318 1.00 0.00 O ATOM 913 CB VAL A 456 3.231 -6.475 -1.747 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.891 -7.194 -1.768 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.378 -5.567 -2.959 1.00 0.00 C ATOM 0 H VAL A 456 2.883 -7.428 0.578 1.00 0.00 H new ATOM 0 HA VAL A 456 4.371 -5.183 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 456 4.019 -7.227 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.794 -7.756 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.832 -7.879 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.085 -6.463 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.258 -6.154 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.615 -4.789 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.366 -5.107 -2.951 1.00 0.00 H new ATOM 925 N THR A 457 2.712 -3.343 -0.354 1.00 0.00 N ATOM 926 CA THR A 457 1.768 -2.235 -0.283 1.00 0.00 C ATOM 927 C THR A 457 1.768 -1.429 -1.578 1.00 0.00 C ATOM 928 O THR A 457 2.809 -1.247 -2.208 1.00 0.00 O ATOM 929 CB THR A 457 2.095 -1.293 0.891 1.00 0.00 C ATOM 930 OG1 THR A 457 2.456 -2.060 2.047 1.00 0.00 O ATOM 931 CG2 THR A 457 0.905 -0.403 1.220 1.00 0.00 C ATOM 0 H THR A 457 3.691 -3.061 -0.393 1.00 0.00 H new ATOM 0 HA THR A 457 0.781 -2.671 -0.127 1.00 0.00 H new ATOM 0 HB THR A 457 2.932 -0.659 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.664 -1.455 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.160 0.253 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.649 0.199 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.052 -1.023 1.496 1.00 0.00 H new ATOM 939 N THR A 458 0.592 -0.948 -1.969 1.00 0.00 N ATOM 940 CA THR A 458 0.455 -0.161 -3.189 1.00 0.00 C ATOM 941 C THR A 458 -0.021 1.255 -2.879 1.00 0.00 C ATOM 942 O THR A 458 -1.093 1.448 -2.307 1.00 0.00 O ATOM 943 CB THR A 458 -0.532 -0.816 -4.173 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.582 -2.231 -3.947 1.00 0.00 O ATOM 945 CG2 THR A 458 -0.124 -0.543 -5.613 1.00 0.00 C ATOM 0 H THR A 458 -0.280 -1.090 -1.459 1.00 0.00 H new ATOM 0 HA THR A 458 1.442 -0.119 -3.650 1.00 0.00 H new ATOM 0 HB THR A 458 -1.519 -0.385 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 458 -1.468 -2.477 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.836 -1.016 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.114 0.532 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 458 0.871 -0.950 -5.793 1.00 0.00 H new ATOM 953 N TYR A 459 0.785 2.241 -3.260 1.00 0.00 N ATOM 954 CA TYR A 459 0.446 3.639 -3.022 1.00 0.00 C ATOM 955 C TYR A 459 -0.090 4.292 -4.291 1.00 0.00 C ATOM 956 O TYR A 459 0.535 4.224 -5.349 1.00 0.00 O ATOM 957 CB TYR A 459 1.674 4.404 -2.521 1.00 0.00 C ATOM 958 CG TYR A 459 1.943 4.219 -1.044 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.723 3.164 -0.587 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.415 5.099 -0.107 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.970 2.992 0.762 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.659 4.934 1.243 1.00 0.00 C ATOM 963 CZ TYR A 459 2.436 3.878 1.672 1.00 0.00 C ATOM 964 OH TYR A 459 2.680 3.710 3.015 1.00 0.00 O ATOM 0 H TYR A 459 1.677 2.098 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.333 3.674 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.549 4.079 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.539 5.466 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 459 3.143 2.467 -1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 459 0.804 5.925 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.579 2.167 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.244 5.628 1.959 1.00 0.00 H new ATOM 0 HH TYR A 459 2.232 4.420 3.520 1.00 0.00 H new ATOM 974 N GLU A 460 -1.252 4.926 -4.178 1.00 0.00 N ATOM 975 CA GLU A 460 -1.874 5.592 -5.316 1.00 0.00 C ATOM 976 C GLU A 460 -2.195 7.047 -4.985 1.00 0.00 C ATOM 977 O GLU A 460 -3.142 7.333 -4.252 1.00 0.00 O ATOM 978 CB GLU A 460 -3.151 4.858 -5.729 1.00 0.00 C ATOM 979 CG GLU A 460 -2.924 3.789 -6.785 1.00 0.00 C ATOM 980 CD GLU A 460 -2.686 4.374 -8.164 1.00 0.00 C ATOM 981 OE1 GLU A 460 -3.478 5.244 -8.585 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.711 3.960 -8.825 1.00 0.00 O ATOM 0 H GLU A 460 -1.782 4.993 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.168 5.573 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.596 4.397 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.871 5.584 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.067 3.178 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.790 3.127 -6.819 1.00 0.00 H new ATOM 989 N GLY A 461 -1.398 7.961 -5.529 1.00 0.00 N ATOM 990 CA GLY A 461 -1.613 9.375 -5.280 1.00 0.00 C ATOM 991 C GLY A 461 -0.481 10.003 -4.491 1.00 0.00 C ATOM 992 O GLY A 461 0.233 9.315 -3.761 1.00 0.00 O ATOM 0 H GLY A 461 -0.608 7.748 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.722 9.896 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.548 9.507 -4.736 1.00 0.00 H new ATOM 996 N LYS A 462 -0.315 11.313 -4.639 1.00 0.00 N ATOM 997 CA LYS A 462 0.739 12.035 -3.936 1.00 0.00 C ATOM 998 C LYS A 462 0.174 12.796 -2.743 1.00 0.00 C ATOM 999 O LYS A 462 -1.009 13.137 -2.715 1.00 0.00 O ATOM 1000 CB LYS A 462 1.445 13.004 -4.887 1.00 0.00 C ATOM 1001 CG LYS A 462 1.761 12.402 -6.246 1.00 0.00 C ATOM 1002 CD LYS A 462 2.824 13.204 -6.981 1.00 0.00 C ATOM 1003 CE LYS A 462 2.391 13.540 -8.399 1.00 0.00 C ATOM 1004 NZ LYS A 462 2.915 14.860 -8.844 1.00 0.00 N ATOM 0 H LYS A 462 -0.897 11.897 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 462 1.462 11.306 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.818 13.885 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.372 13.343 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.103 11.375 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 462 0.853 12.364 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 462 3.028 14.125 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.754 12.637 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 462 2.741 12.763 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 462 1.302 13.545 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 2.597 15.050 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 2.561 15.605 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 3.955 14.848 -8.817 1.00 0.00 H new ATOM 1018 N HIS A 463 1.027 13.062 -1.758 1.00 0.00 N ATOM 1019 CA HIS A 463 0.611 13.786 -0.563 1.00 0.00 C ATOM 1020 C HIS A 463 0.783 15.290 -0.750 1.00 0.00 C ATOM 1021 O HIS A 463 1.903 15.786 -0.863 1.00 0.00 O ATOM 1022 CB HIS A 463 1.416 13.317 0.650 1.00 0.00 C ATOM 1023 CG HIS A 463 1.178 11.883 1.011 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.132 11.471 1.810 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.858 10.760 0.680 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.177 10.159 1.956 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.216 9.702 1.279 1.00 0.00 N ATOM 0 H HIS A 463 2.009 12.787 -1.764 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.445 13.577 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.478 13.461 0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.166 13.944 1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.741 10.705 0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.516 9.562 2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.496 8.724 1.212 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.335 16.009 -0.778 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.306 17.458 -0.949 1.00 0.00 C ATOM 1037 C ASN A 464 0.259 18.141 0.294 1.00 0.00 C ATOM 1038 O ASN A 464 0.798 19.244 0.216 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.712 17.985 -1.240 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.142 17.730 -2.671 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.206 18.650 -3.486 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.438 16.474 -2.984 1.00 0.00 N ATOM 0 H ASN A 464 -1.270 15.613 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 464 0.343 17.687 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.422 17.512 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.744 19.056 -1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.732 16.241 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.371 15.743 -2.276 1.00 0.00 H new ATOM 1049 N HIS A 465 0.134 17.475 1.437 1.00 0.00 N ATOM 1050 CA HIS A 465 0.632 18.016 2.697 1.00 0.00 C ATOM 1051 C HIS A 465 2.042 17.507 2.985 1.00 0.00 C ATOM 1052 O HIS A 465 2.306 16.306 2.918 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.307 17.641 3.846 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.381 16.168 4.110 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.873 15.154 3.357 1.00 0.00 N flip ATOM 1056 CD2 HIS A 465 0.085 15.587 5.270 1.00 0.00 C flip ATOM 1057 CE1 HIS A 465 -0.696 13.995 4.069 1.00 0.00 C flip ATOM 1058 NE2 HIS A 465 -0.114 14.282 5.219 1.00 0.00 N flip ATOM 0 H HIS A 465 -0.308 16.559 1.517 1.00 0.00 H new ATOM 0 HA HIS A 465 0.668 19.102 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 465 0.024 18.147 4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.307 18.011 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 465 0.542 16.117 6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.986 13.007 3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 465 0.139 13.611 5.944 1.00 0.00 H new